##############################################################################
#                                                                            #
# This CIF contains the data for a data article accepted for                 #
# publication in IUCrData. It conforms to the requirements of                #
# Notes for Authors for IUCrData, and has been                               #
# peer reviewed under the auspices of IUCrData.                              #
#                                                                            #
# Full details of the Crystallographic Information File format               #
# are given in the paper "The Crystallographic Information File (CIF):       #
# a New Standard Archive File for Crystallography" by S. R. Hall, F. H.      #
# Allen and I. D. Brown [Acta Cryst. (1991), A47, 655-685].                  #
#                                                                            #
# The current version of the core CIF dictionary is obtainable from          #
# ftp://ftp.iucr.org/pub/cif_core.dic.                                       #
#                                                                            #
# Software is freely available for graphical display of the structure(s)     #
# in this CIF. For information consult the CIF software page                 #
# http://www.iucr.org/resources/cif/software.                                #
#                                                                            #
# This file may be used for bona fide research purposes within the           #
# scientific community so long as proper attribution is given to the data    # 
# article from which it was obtained.                                        #
#                                                                            #
##############################################################################
data_I
_audit_creation_method     'SHELXL-2018/3'
_chemical_name_systematic
;
2,5-Bis[5-(3,5-didodecyloxyphenyl)-1,3,4-oxadiazol-2-yl]-3,6-dimethylpyrazine
;
_chemical_name_common     ?
_chemical_formula_moiety     'C70 H112 N6 O6'
_chemical_formula_sum     'C70 H112 N6 O6'
_chemical_formula_iupac     'C70 H112 N6 O6'
_chemical_formula_weight     1133.65
_chemical_melting_point     399
_space_group_crystal_system     triclinic
_space_group_name_H-M_alt     'P -1'
_space_group_name_Hall     '-P 1'
loop_
    _space_group_symop_operation_xyz
    'x, y, z'
    '-x, -y, -z'
_cell_length_a     8.1119(3)
_cell_length_b     9.5566(3)
_cell_length_c     22.2332(8)
_cell_angle_alpha     90.553(3)
_cell_angle_beta     91.592(3)
_cell_angle_gamma     106.047(3)
_cell_volume     1655.50(10)
_cell_formula_units_Z     1
_cell_measurement_reflns_used     12421
_cell_measurement_theta_min     1.99
_cell_measurement_theta_max     71.54
_cell_measurement_temperature     120(2)
_exptl_crystal_description     block
_exptl_crystal_colour     colorless
_exptl_crystal_size_max     0.140
_exptl_crystal_size_mid     0.080
_exptl_crystal_size_min     0.030
_exptl_crystal_density_diffrn     1.137
_exptl_crystal_density_meas     ?
_exptl_crystal_density_method     ?
_exptl_crystal_F_000     622
_exptl_absorpt_coefficient_mu     0.557
_exptl_absorpt_correction_type     none
_exptl_absorpt_process_details     ?
_exptl_absorpt_correction_T_min     ?
_exptl_absorpt_correction_T_max     ?
_diffrn_ambient_temperature     120(2)
_diffrn_source     'microfocus tube'
_diffrn_radiation_type     CuK\a
_diffrn_radiation_wavelength     1.54178
_diffrn_measurement_device_type     'Stoe Stadivari'
_diffrn_measurement_method     'rotation method, ω scans'
_diffrn_detector_area_resol_mean     13.33
_diffrn_reflns_number     46250
_diffrn_reflns_av_R_equivalents     0.0897
_diffrn_reflns_av_unetI/netI     0.0582
_diffrn_reflns_theta_min     1.988
_diffrn_reflns_theta_max     67.973
_diffrn_reflns_theta_full     67.973
_diffrn_measured_fraction_theta_max     0.925
_diffrn_measured_fraction_theta_full     0.925
_diffrn_reflns_limit_h_min     -9
_diffrn_reflns_limit_h_max     9
_diffrn_reflns_limit_k_min     -11
_diffrn_reflns_limit_k_max     11
_diffrn_reflns_limit_l_min     -26
_diffrn_reflns_limit_l_max     26
_refine_special_details
;
Hydrogen atoms were placed at calculated positions and were refined
in the riding-model approximation with Caromatic--H = 0.95 Å,
Cmethylene--H = 0.99 Å, and Cmethyl--H = 0.98 Å and with
Uiso(H) = 1.2 Ueq(C) or Uiso(H) = 1.5
Ueq(Cmethyl). The methyl groups were allowed to rotate but not to
tip.
;
_reflns_number_total     5582
_reflns_number_gt     3360
_reflns_threshold_expression     'I > 2σ(I)'
_refine_ls_structure_factor_coef     Fsqd
_refine_ls_matrix_type     full
_refine_ls_R_factor_all     0.0936
_refine_ls_R_factor_gt     0.0504
_refine_ls_wR_factor_gt     0.1256
_refine_ls_wR_factor_ref     0.1432
_refine_ls_goodness_of_fit_ref     0.942
_refine_ls_restrained_S_all     0.942
_refine_ls_number_reflns     5582
_refine_ls_number_parameters     373
_refine_ls_number_restraints     0
_refine_ls_hydrogen_treatment     constr
_refine_ls_weighting_scheme     calc
_refine_ls_weighting_details
                      'w=1/[σ²(Fo²)+(0.0817P)²] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_hydrogens     geom
_atom_sites_solution_primary     dual
_atom_sites_solution_secondary     ?
_refine_ls_shift/su_max     0.000
_refine_ls_shift/su_mean     0.000
_refine_diff_density_max     0.572
_refine_diff_density_min     -0.208
_refine_ls_extinction_method     none
_refine_ls_extinction_coef     .
loop_
    _atom_type_symbol
    _atom_type_description
    _atom_type_scat_dispersion_real
    _atom_type_scat_dispersion_imag
    _atom_type_scat_source
    'C' 'C' 0.0181 0.0091
                         'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
    'H' 'H' 0.0000 0.0000
                         'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
    'N' 'N' 0.0311 0.0180
                         'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
    'O' 'O' 0.0492 0.0322
                         'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
_computing_data_collection
;
X-Area WinXpose (Stoe & Cie, 2019)
;
_computing_cell_refinement
;
X-Area Recipe (Stoe & Cie, 2019)
;
_computing_data_reduction
;
X-Area Integrate (Stoe & Cie, 2019)
;
_computing_structure_solution
;
SHELXT2014 (Sheldrick, 2015a)
;
_computing_structure_refinement
;
SHELXL2018/3 (Sheldrick, 2015b)
;
_computing_molecular_graphics
;
PLATON (Spek, 2020)
;
_computing_publication_material     ?
loop_
    _atom_site_type_symbol
    _atom_site_label
    _atom_site_fract_x
    _atom_site_fract_y
    _atom_site_fract_z
    _atom_site_U_iso_or_equiv
    _atom_site_adp_type
    _atom_site_calc_flag
    _atom_site_occupancy
    _atom_site_disorder_assembly
    _atom_site_disorder_group
    N N1 0.4330(2) 0.5972(2) 0.53110(8) 0.0250(4) Uani d 1 . .
    C C2 0.4840(3) 0.4951(2) 0.56115(10) 0.0248(5) Uani d 1 . .
    C C3 0.5511(3) 0.3976(2) 0.52863(10) 0.0240(5) Uani d 1 . .
    C C4 0.4685(3) 0.4954(2) 0.62820(10) 0.0289(5) Uani d 1 . .
    H H4A 0.417809 0.572892 0.640336 0.043 Uiso calc 1 . .
    H H4B 0.582537 0.512466 0.647519 0.043 Uiso calc 1 . .
    H H4C 0.394915 0.401114 0.640563 0.043 Uiso calc 1 . .
    C C5 0.6013(3) 0.2776(2) 0.55730(10) 0.0244(5) Uani d 1 . .
    N N6 0.5959(3) 0.2403(2) 0.61295(8) 0.0300(5) Uani d 1 . .
    N N7 0.6494(3) 0.1122(2) 0.61502(8) 0.0304(5) Uani d 1 . .
    C C8 0.6824(3) 0.0848(2) 0.56041(9) 0.0245(5) Uani d 1 . .
    O O9 0.6569(2) 0.18470(16) 0.52090(6) 0.0244(4) Uani d 1 . .
    C C10 0.7459(3) -0.0346(2) 0.53796(10) 0.0236(5) Uani d 1 . .
    C C11 0.7808(3) -0.1302(2) 0.57946(10) 0.0247(5) Uani d 1 . .
    H H11 0.757950 -0.120829 0.620758 0.030 Uiso calc 1 . .
    C C12 0.8500(3) -0.2404(2) 0.56000(9) 0.0241(5) Uani d 1 . .
    C C13 0.8827(3) -0.2539(2) 0.49996(9) 0.0240(5) Uani d 1 . .
    H H13 0.931369 -0.328264 0.486925 0.029 Uiso calc 1 . .
    C C14 0.8443(3) -0.1580(2) 0.45843(9) 0.0228(5) Uani d 1 . .
    C C15 0.7753(3) -0.0471(2) 0.47684(10) 0.0240(5) Uani d 1 . .
    H H15 0.749062 0.018229 0.448630 0.029 Uiso calc 1 . .
    O O16 0.8803(2) -0.32816(17) 0.60445(6) 0.0287(4) Uani d 1 . .
    C C17 0.9903(3) -0.4195(2) 0.59294(10) 0.0277(5) Uani d 1 . .
    H H17A 1.103735 -0.360190 0.580051 0.033 Uiso calc 1 . .
    H H17B 0.938976 -0.492003 0.560728 0.033 Uiso calc 1 . .
    C C18 1.0092(3) -0.4953(2) 0.65108(10) 0.0291(5) Uani d 1 . .
    H H18A 1.089988 -0.554965 0.645231 0.035 Uiso calc 1 . .
    H H18B 0.896548 -0.562135 0.660717 0.035 Uiso calc 1 . .
    C C19 1.0742(3) -0.3907(3) 0.70426(10) 0.0304(5) Uani d 1 . .
    H H19A 0.986994 -0.339312 0.713321 0.036 Uiso calc 1 . .
    H H19B 1.180210 -0.316845 0.693067 0.036 Uiso calc 1 . .
    C C20 1.1118(3) -0.4684(3) 0.76074(10) 0.0307(6) Uani d 1 . .
    H H20A 1.214195 -0.503073 0.754146 0.037 Uiso calc 1 . .
    H H20B 1.013675 -0.554834 0.766994 0.037 Uiso calc 1 . .
    C C21 1.1432(3) -0.3723(3) 0.81777(10) 0.0333(6) Uani d 1 . .
    H H21A 1.240036 -0.284909 0.811395 0.040 Uiso calc 1 . .
    H H21B 1.039951 -0.339102 0.824945 0.040 Uiso calc 1 . .
    C C22 1.1837(3) -0.4506(3) 0.87345(10) 0.0323(6) Uani d 1 . .
    H H22A 1.289125 -0.480808 0.866759 0.039 Uiso calc 1 . .
    H H22B 1.088599 -0.539766 0.878963 0.039 Uiso calc 1 . .
    C C23 1.2092(3) -0.3569(3) 0.93082(10) 0.0334(6) Uani d 1 . .
    H H23A 1.104016 -0.326191 0.937327 0.040 Uiso calc 1 . .
    H H23B 1.304701 -0.267990 0.925339 0.040 Uiso calc 1 . .
    C C24 1.2490(3) -0.4354(3) 0.98696(10) 0.0319(6) Uani d 1 . .
    H H24A 1.153882 -0.524675 0.992303 0.038 Uiso calc 1 . .
    H H24B 1.354663 -0.465467 0.980597 0.038 Uiso calc 1 . .
    C C25 1.2732(3) -0.3418(3) 1.04433(10) 0.0335(6) Uani d 1 . .
    H H25A 1.367141 -0.251867 1.038704 0.040 Uiso calc 1 . .
    H H25B 1.166897 -0.312784 1.050905 0.040 Uiso calc 1 . .
    C C26 1.3151(3) -0.4182(3) 1.10030(10) 0.0338(6) Uani d 1 . .
    H H26A 1.221315 -0.508143 1.106018 0.041 Uiso calc 1 . .
    H H26B 1.421681 -0.446844 1.093908 0.041 Uiso calc 1 . .
    C C27 1.3385(4) -0.3235(3) 1.15719(10) 0.0374(6) Uani d 1 . .
    H H27A 1.231819 -0.294916 1.163560 0.045 Uiso calc 1 . .
    H H27B 1.432107 -0.233484 1.151410 0.045 Uiso calc 1 . .
    C C28 1.3808(4) -0.3996(3) 1.21353(11) 0.0446(7) Uani d 1 . .
    H H28A 1.287662 -0.488016 1.220028 0.067 Uiso calc 1 . .
    H H28B 1.393540 -0.333864 1.248507 0.067 Uiso calc 1 . .
    H H28C 1.488134 -0.425691 1.208107 0.067 Uiso calc 1 . .
    O O29 0.8808(2) -0.18117(16) 0.40032(6) 0.0284(4) Uani d 1 . .
    C C30 0.8427(3) -0.0874(2) 0.35478(9) 0.0287(5) Uani d 1 . .
    H H30A 0.910389 0.014655 0.362777 0.034 Uiso calc 1 . .
    H H30B 0.719233 -0.092015 0.354322 0.034 Uiso calc 1 . .
    C C31 0.8895(3) -0.1410(3) 0.29551(10) 0.0326(6) Uani d 1 . .
    H H31A 0.825290 -0.244774 0.289450 0.039 Uiso calc 1 . .
    H H31B 1.013475 -0.134541 0.296749 0.039 Uiso calc 1 . .
    C C32 0.8501(4) -0.0542(3) 0.24239(10) 0.0329(6) Uani d 1 . .
    H H32A 0.734167 -0.040872 0.246459 0.039 Uiso calc 1 . .
    H H32B 0.933784 0.043378 0.243139 0.039 Uiso calc 1 . .
    C C33 0.8580(3) -0.1298(3) 0.18232(10) 0.0320(6) Uani d 1 . .
    H H33A 0.776254 -0.228237 0.182322 0.038 Uiso calc 1 . .
    H H33B 0.974638 -0.141789 0.178384 0.038 Uiso calc 1 . .
    C C34 0.8164(3) -0.0486(3) 0.12775(10) 0.0319(6) Uani d 1 . .
    H H34A 0.908077 0.043686 0.123919 0.038 Uiso calc 1 . .
    H H34B 0.707375 -0.023895 0.134115 0.038 Uiso calc 1 . .
    C C35 0.8002(3) -0.1378(3) 0.06942(9) 0.0317(6) Uani d 1 . .
    H H35A 0.709602 -0.230584 0.073611 0.038 Uiso calc 1 . .
    H H35B 0.909714 -0.161648 0.063027 0.038 Uiso calc 1 . .
    C C36 0.7566(3) -0.0591(3) 0.01426(9) 0.0321(6) Uani d 1 . .
    H H36A 0.648880 -0.032642 0.021052 0.039 Uiso calc 1 . .
    H H36B 0.849030 0.032104 0.009195 0.039 Uiso calc 1 . .
    C C37 0.7354(3) -0.1514(3) -0.04338(10) 0.0332(6) Uani d 1 . .
    H H37A 0.843351 -0.177654 -0.050164 0.040 Uiso calc 1 . .
    H H37B 0.643403 -0.242829 -0.038181 0.040 Uiso calc 1 . .
    C C38 0.6913(3) -0.0740(3) -0.09865(10) 0.0324(6) Uani d 1 . .
    H H38A 0.784213 0.016683 -0.104200 0.039 Uiso calc 1 . .
    H H38B 0.584358 -0.046434 -0.091618 0.039 Uiso calc 1 . .
    C C39 0.6675(4) -0.1669(3) -0.15610(10) 0.0349(6) Uani d 1 . .
    H H39A 0.576900 -0.258829 -0.150162 0.042 Uiso calc 1 . .
    H H39B 0.775603 -0.192197 -0.163757 0.042 Uiso calc 1 . .
    C C40 0.6186(4) -0.0908(3) -0.21120(10) 0.0377(6) Uani d 1 . .
    H H40A 0.513767 -0.060992 -0.202886 0.045 Uiso calc 1 . .
    H H40B 0.712046 -0.001719 -0.218608 0.045 Uiso calc 1 . .
    C C41 0.5864(4) -0.1877(3) -0.26715(11) 0.0446(7) Uani d 1 . .
    H H41A 0.691687 -0.213281 -0.276828 0.054 Uiso calc 1 . .
    H H41B 0.551884 -0.135694 -0.300897 0.054 Uiso calc 1 . .
    H H41C 0.494847 -0.276608 -0.259900 0.054 Uiso calc 1 . .
_geom_special_details
;
 All esds (except the esd in the dihedral angle between two l.s. planes)
 are estimated using the full covariance matrix.  The cell esds are taken
 into account individually in the estimation of esds in distances, angles
 and torsion angles; correlations between esds in cell parameters are only
 used when they are defined by crystal symmetry.  An approximate (isotropic)
 treatment of cell esds is used for estimating esds involving l.s. planes.
;
loop_
    _geom_bond_atom_site_label_1
    _geom_bond_atom_site_label_2
    _geom_bond_site_symmetry_2
    _geom_bond_distance
    _geom_bond_publ_flag
    N1 C2 . 1.338(3) ?
    N1 C3 2_666 1.338(3) ?
    C2 C3 . 1.406(3) ?
    C2 C4 . 1.499(3) ?
    C3 C5 . 1.465(3) ?
    C4 H4A . 0.9800 ?
    C4 H4B . 0.9800 ?
    C4 H4C . 0.9800 ?
    C5 N6 . 1.290(3) ?
    C5 O9 . 1.369(2) ?
    N6 N7 . 1.408(2) ?
    N7 C8 . 1.290(3) ?
    C8 O9 . 1.357(2) ?
    C8 C10 . 1.465(3) ?
    C10 C11 . 1.382(3) ?
    C10 C15 . 1.396(3) ?
    C11 C12 . 1.394(3) ?
    C11 H11 . 0.9500 ?
    C12 O16 . 1.362(3) ?
    C12 C13 . 1.380(3) ?
    C13 C14 . 1.395(3) ?
    C13 H13 . 0.9500 ?
    C14 O29 . 1.363(3) ?
    C14 C15 . 1.391(3) ?
    C15 H15 . 0.9500 ?
    O16 C17 . 1.437(2) ?
    C17 C18 . 1.513(3) ?
    C17 H17A . 0.9900 ?
    C17 H17B . 0.9900 ?
    C18 C19 . 1.525(3) ?
    C18 H18A . 0.9900 ?
    C18 H18B . 0.9900 ?
    C19 C20 . 1.530(3) ?
    C19 H19A . 0.9900 ?
    C19 H19B . 0.9900 ?
    C20 C21 . 1.532(3) ?
    C20 H20A . 0.9900 ?
    C20 H20B . 0.9900 ?
    C21 C22 . 1.527(3) ?
    C21 H21A . 0.9900 ?
    C21 H21B . 0.9900 ?
    C22 C23 . 1.527(3) ?
    C22 H22A . 0.9900 ?
    C22 H22B . 0.9900 ?
    C23 C24 . 1.534(3) ?
    C23 H23A . 0.9900 ?
    C23 H23B . 0.9900 ?
    C24 C25 . 1.527(3) ?
    C24 H24A . 0.9900 ?
    C24 H24B . 0.9900 ?
    C25 C26 . 1.526(3) ?
    C25 H25A . 0.9900 ?
    C25 H25B . 0.9900 ?
    C26 C27 . 1.524(3) ?
    C26 H26A . 0.9900 ?
    C26 H26B . 0.9900 ?
    C27 C28 . 1.532(3) ?
    C27 H27A . 0.9900 ?
    C27 H27B . 0.9900 ?
    C28 H28A . 0.9800 ?
    C28 H28B . 0.9800 ?
    C28 H28C . 0.9800 ?
    O29 C30 . 1.441(2) ?
    C30 C31 . 1.505(3) ?
    C30 H30A . 0.9900 ?
    C30 H30B . 0.9900 ?
    C31 C32 . 1.526(3) ?
    C31 H31A . 0.9900 ?
    C31 H31B . 0.9900 ?
    C32 C33 . 1.523(3) ?
    C32 H32A . 0.9900 ?
    C32 H32B . 0.9900 ?
    C33 C34 . 1.526(3) ?
    C33 H33A . 0.9900 ?
    C33 H33B . 0.9900 ?
    C34 C35 . 1.527(3) ?
    C34 H34A . 0.9900 ?
    C34 H34B . 0.9900 ?
    C35 C36 . 1.528(3) ?
    C35 H35A . 0.9900 ?
    C35 H35B . 0.9900 ?
    C36 C37 . 1.527(3) ?
    C36 H36A . 0.9900 ?
    C36 H36B . 0.9900 ?
    C37 C38 . 1.525(3) ?
    C37 H37A . 0.9900 ?
    C37 H37B . 0.9900 ?
    C38 C39 . 1.525(3) ?
    C38 H38A . 0.9900 ?
    C38 H38B . 0.9900 ?
    C39 C40 . 1.529(3) ?
    C39 H39A . 0.9900 ?
    C39 H39B . 0.9900 ?
    C40 C41 . 1.516(3) ?
    C40 H40A . 0.9900 ?
    C40 H40B . 0.9900 ?
    C41 H41A . 0.9800 ?
    C41 H41B . 0.9800 ?
    C41 H41C . 0.9800 ?
loop_
    _geom_angle_atom_site_label_1
    _geom_angle_atom_site_label_2
    _geom_angle_atom_site_label_3
    _geom_angle_site_symmetry_1
    _geom_angle_site_symmetry_3
    _geom_angle
    _geom_angle_publ_flag
    C2 N1 C3 . 2_666 118.49(19) ?
    N1 C2 C3 . . 118.7(2) ?
    N1 C2 C4 . . 116.83(18) ?
    C3 C2 C4 . . 124.49(19) ?
    N1 C3 C2 2_666 . 122.8(2) ?
    N1 C3 C5 2_666 . 114.69(19) ?
    C2 C3 C5 . . 122.4(2) ?
    C2 C4 H4A . . 109.5 ?
    C2 C4 H4B . . 109.5 ?
    H4A C4 H4B . . 109.5 ?
    C2 C4 H4C . . 109.5 ?
    H4A C4 H4C . . 109.5 ?
    H4B C4 H4C . . 109.5 ?
    N6 C5 O9 . . 112.67(18) ?
    N6 C5 C3 . . 129.76(19) ?
    O9 C5 C3 . . 117.52(18) ?
    C5 N6 N7 . . 106.03(17) ?
    C8 N7 N6 . . 106.06(17) ?
    N7 C8 O9 . . 113.02(18) ?
    N7 C8 C10 . . 128.27(19) ?
    O9 C8 C10 . . 118.69(18) ?
    C8 O9 C5 . . 102.21(16) ?
    C11 C10 C15 . . 121.71(19) ?
    C11 C10 C8 . . 117.78(19) ?
    C15 C10 C8 . . 120.48(19) ?
    C10 C11 C12 . . 119.2(2) ?
    C10 C11 H11 . . 120.4 ?
    C12 C11 H11 . . 120.4 ?
    O16 C12 C13 . . 125.20(19) ?
    O16 C12 C11 . . 114.55(19) ?
    C13 C12 C11 . . 120.25(19) ?
    C12 C13 C14 . . 119.89(19) ?
    C12 C13 H13 . . 120.1 ?
    C14 C13 H13 . . 120.1 ?
    O29 C14 C15 . . 123.95(19) ?
    O29 C14 C13 . . 115.19(18) ?
    C15 C14 C13 . . 120.8(2) ?
    C14 C15 C10 . . 118.08(19) ?
    C14 C15 H15 . . 121.0 ?
    C10 C15 H15 . . 121.0 ?
    C12 O16 C17 . . 118.96(17) ?
    O16 C17 C18 . . 106.94(17) ?
    O16 C17 H17A . . 110.3 ?
    C18 C17 H17A . . 110.3 ?
    O16 C17 H17B . . 110.3 ?
    C18 C17 H17B . . 110.3 ?
    H17A C17 H17B . . 108.6 ?
    C17 C18 C19 . . 113.50(19) ?
    C17 C18 H18A . . 108.9 ?
    C19 C18 H18A . . 108.9 ?
    C17 C18 H18B . . 108.9 ?
    C19 C18 H18B . . 108.9 ?
    H18A C18 H18B . . 107.7 ?
    C18 C19 C20 . . 112.56(19) ?
    C18 C19 H19A . . 109.1 ?
    C20 C19 H19A . . 109.1 ?
    C18 C19 H19B . . 109.1 ?
    C20 C19 H19B . . 109.1 ?
    H19A C19 H19B . . 107.8 ?
    C19 C20 C21 . . 113.68(19) ?
    C19 C20 H20A . . 108.8 ?
    C21 C20 H20A . . 108.8 ?
    C19 C20 H20B . . 108.8 ?
    C21 C20 H20B . . 108.8 ?
    H20A C20 H20B . . 107.7 ?
    C22 C21 C20 . . 112.97(19) ?
    C22 C21 H21A . . 109.0 ?
    C20 C21 H21A . . 109.0 ?
    C22 C21 H21B . . 109.0 ?
    C20 C21 H21B . . 109.0 ?
    H21A C21 H21B . . 107.8 ?
    C21 C22 C23 . . 113.19(19) ?
    C21 C22 H22A . . 108.9 ?
    C23 C22 H22A . . 108.9 ?
    C21 C22 H22B . . 108.9 ?
    C23 C22 H22B . . 108.9 ?
    H22A C22 H22B . . 107.8 ?
    C22 C23 C24 . . 113.40(19) ?
    C22 C23 H23A . . 108.9 ?
    C24 C23 H23A . . 108.9 ?
    C22 C23 H23B . . 108.9 ?
    C24 C23 H23B . . 108.9 ?
    H23A C23 H23B . . 107.7 ?
    C25 C24 C23 . . 113.27(19) ?
    C25 C24 H24A . . 108.9 ?
    C23 C24 H24A . . 108.9 ?
    C25 C24 H24B . . 108.9 ?
    C23 C24 H24B . . 108.9 ?
    H24A C24 H24B . . 107.7 ?
    C26 C25 C24 . . 113.68(19) ?
    C26 C25 H25A . . 108.8 ?
    C24 C25 H25A . . 108.8 ?
    C26 C25 H25B . . 108.8 ?
    C24 C25 H25B . . 108.8 ?
    H25A C25 H25B . . 107.7 ?
    C27 C26 C25 . . 113.1(2) ?
    C27 C26 H26A . . 109.0 ?
    C25 C26 H26A . . 109.0 ?
    C27 C26 H26B . . 109.0 ?
    C25 C26 H26B . . 109.0 ?
    H26A C26 H26B . . 107.8 ?
    C26 C27 C28 . . 113.3(2) ?
    C26 C27 H27A . . 108.9 ?
    C28 C27 H27A . . 108.9 ?
    C26 C27 H27B . . 108.9 ?
    C28 C27 H27B . . 108.9 ?
    H27A C27 H27B . . 107.7 ?
    C27 C28 H28A . . 109.5 ?
    C27 C28 H28B . . 109.5 ?
    H28A C28 H28B . . 109.5 ?
    C27 C28 H28C . . 109.5 ?
    H28A C28 H28C . . 109.5 ?
    H28B C28 H28C . . 109.5 ?
    C14 O29 C30 . . 118.34(16) ?
    O29 C30 C31 . . 106.77(17) ?
    O29 C30 H30A . . 110.4 ?
    C31 C30 H30A . . 110.4 ?
    O29 C30 H30B . . 110.4 ?
    C31 C30 H30B . . 110.4 ?
    H30A C30 H30B . . 108.6 ?
    C30 C31 C32 . . 112.61(19) ?
    C30 C31 H31A . . 109.1 ?
    C32 C31 H31A . . 109.1 ?
    C30 C31 H31B . . 109.1 ?
    C32 C31 H31B . . 109.1 ?
    H31A C31 H31B . . 107.8 ?
    C33 C32 C31 . . 112.02(19) ?
    C33 C32 H32A . . 109.2 ?
    C31 C32 H32A . . 109.2 ?
    C33 C32 H32B . . 109.2 ?
    C31 C32 H32B . . 109.2 ?
    H32A C32 H32B . . 107.9 ?
    C32 C33 C34 . . 114.08(19) ?
    C32 C33 H33A . . 108.7 ?
    C34 C33 H33A . . 108.7 ?
    C32 C33 H33B . . 108.7 ?
    C34 C33 H33B . . 108.7 ?
    H33A C33 H33B . . 107.6 ?
    C33 C34 C35 . . 112.41(19) ?
    C33 C34 H34A . . 109.1 ?
    C35 C34 H34A . . 109.1 ?
    C33 C34 H34B . . 109.1 ?
    C35 C34 H34B . . 109.1 ?
    H34A C34 H34B . . 107.9 ?
    C34 C35 C36 . . 113.29(19) ?
    C34 C35 H35A . . 108.9 ?
    C36 C35 H35A . . 108.9 ?
    C34 C35 H35B . . 108.9 ?
    C36 C35 H35B . . 108.9 ?
    H35A C35 H35B . . 107.7 ?
    C37 C36 C35 . . 112.69(19) ?
    C37 C36 H36A . . 109.1 ?
    C35 C36 H36A . . 109.1 ?
    C37 C36 H36B . . 109.1 ?
    C35 C36 H36B . . 109.1 ?
    H36A C36 H36B . . 107.8 ?
    C38 C37 C36 . . 113.07(19) ?
    C38 C37 H37A . . 109.0 ?
    C36 C37 H37A . . 109.0 ?
    C38 C37 H37B . . 109.0 ?
    C36 C37 H37B . . 109.0 ?
    H37A C37 H37B . . 107.8 ?
    C37 C38 C39 . . 113.1(2) ?
    C37 C38 H38A . . 109.0 ?
    C39 C38 H38A . . 109.0 ?
    C37 C38 H38B . . 109.0 ?
    C39 C38 H38B . . 109.0 ?
    H38A C38 H38B . . 107.8 ?
    C38 C39 C40 . . 113.1(2) ?
    C38 C39 H39A . . 109.0 ?
    C40 C39 H39A . . 109.0 ?
    C38 C39 H39B . . 109.0 ?
    C40 C39 H39B . . 109.0 ?
    H39A C39 H39B . . 107.8 ?
    C41 C40 C39 . . 112.3(2) ?
    C41 C40 H40A . . 109.1 ?
    C39 C40 H40A . . 109.1 ?
    C41 C40 H40B . . 109.1 ?
    C39 C40 H40B . . 109.1 ?
    H40A C40 H40B . . 107.9 ?
    C40 C41 H41A . . 109.5 ?
    C40 C41 H41B . . 109.5 ?
    H41A C41 H41B . . 109.5 ?
    C40 C41 H41C . . 109.5 ?
    H41A C41 H41C . . 109.5 ?
    H41B C41 H41C . . 109.5 ?
loop_
    _geom_torsion_atom_site_label_1
    _geom_torsion_atom_site_label_2
    _geom_torsion_atom_site_label_3
    _geom_torsion_atom_site_label_4
    _geom_torsion_site_symmetry_1
    _geom_torsion_site_symmetry_2
    _geom_torsion_site_symmetry_3
    _geom_torsion_site_symmetry_4
    _geom_torsion
    _geom_torsion_publ_flag
    C3 N1 C2 C3 2_666 . . . -0.3(4) ?
    C3 N1 C2 C4 2_666 . . . 178.4(2) ?
    N1 C2 C3 N1 . . . 2_666 0.4(4) ?
    C4 C2 C3 N1 . . . 2_666 -178.3(2) ?
    N1 C2 C3 C5 . . . . -176.6(2) ?
    C4 C2 C3 C5 . . . . 4.8(4) ?
    N1 C3 C5 N6 2_666 . . . -177.5(2) ?
    C2 C3 C5 N6 . . . . -0.4(4) ?
    N1 C3 C5 O9 2_666 . . . -0.4(3) ?
    C2 C3 C5 O9 . . . . 176.7(2) ?
    O9 C5 N6 N7 . . . . -0.7(3) ?
    C3 C5 N6 N7 . . . . 176.5(2) ?
    C5 N6 N7 C8 . . . . 0.2(3) ?
    N6 N7 C8 O9 . . . . 0.4(3) ?
    N6 N7 C8 C10 . . . . 178.7(2) ?
    N7 C8 O9 C5 . . . . -0.8(3) ?
    C10 C8 O9 C5 . . . . -179.2(2) ?
    N6 C5 O9 C8 . . . . 0.9(3) ?
    C3 C5 O9 C8 . . . . -176.6(2) ?
    N7 C8 C10 C11 . . . . -2.0(4) ?
    O9 C8 C10 C11 . . . . 176.2(2) ?
    N7 C8 C10 C15 . . . . -179.7(2) ?
    O9 C8 C10 C15 . . . . -1.6(4) ?
    C15 C10 C11 C12 . . . . 1.1(4) ?
    C8 C10 C11 C12 . . . . -176.6(2) ?
    C10 C11 C12 O16 . . . . 179.8(2) ?
    C10 C11 C12 C13 . . . . -0.1(4) ?
    O16 C12 C13 C14 . . . . 179.2(2) ?
    C11 C12 C13 C14 . . . . -0.9(4) ?
    C12 C13 C14 O29 . . . . -179.7(2) ?
    C12 C13 C14 C15 . . . . 0.9(4) ?
    O29 C14 C15 C10 . . . . -179.3(2) ?
    C13 C14 C15 C10 . . . . 0.0(4) ?
    C11 C10 C15 C14 . . . . -1.0(3) ?
    C8 C10 C15 C14 . . . . 176.6(2) ?
    C13 C12 O16 C17 . . . . 15.8(3) ?
    C11 C12 O16 C17 . . . . -164.1(2) ?
    C12 O16 C17 C18 . . . . 176.2(2) ?
    O16 C17 C18 C19 . . . . -55.3(3) ?
    C17 C18 C19 C20 . . . . -173.5(2) ?
    C18 C19 C20 C21 . . . . -168.7(2) ?
    C19 C20 C21 C22 . . . . -179.0(2) ?
    C20 C21 C22 C23 . . . . -178.1(2) ?
    C21 C22 C23 C24 . . . . 179.7(2) ?
    C22 C23 C24 C25 . . . . -179.6(2) ?
    C23 C24 C25 C26 . . . . -179.2(2) ?
    C24 C25 C26 C27 . . . . -179.9(2) ?
    C25 C26 C27 C28 . . . . -179.9(2) ?
    C15 C14 O29 C30 . . . . -1.4(3) ?
    C13 C14 O29 C30 . . . . 179.3(2) ?
    C14 O29 C30 C31 . . . . -177.9(2) ?
    O29 C30 C31 C32 . . . . 178.1(2) ?
    C30 C31 C32 C33 . . . . -166.6(2) ?
    C31 C32 C33 C34 . . . . 179.0(2) ?
    C32 C33 C34 C35 . . . . -171.7(2) ?
    C33 C34 C35 C36 . . . . 179.4(2) ?
    C34 C35 C36 C37 . . . . -178.2(2) ?
    C35 C36 C37 C38 . . . . 179.8(2) ?
    C36 C37 C38 C39 . . . . -179.2(2) ?
    C37 C38 C39 C40 . . . . 178.4(2) ?
    C38 C39 C40 C41 . . . . -177.0(2) ?
_shelx_space_group_comment
;
The symmetry employed for this shelxl refinement is uniquely defined
by the following loop, which should always be used as a source of
symmetry information in preference to the above space-group names.
They are only intended as comments.
;
_shelx_estimated_absorpt_T_min     0.926
_shelx_estimated_absorpt_T_max     0.983
data_global
_journal_date_recd_electronic     2023-01-10
_journal_date_accepted     2023-01-12
_journal_name_full     'IUCrData'
_journal_year     2023
_journal_volume     8
_journal_issue      1
_journal_page_first     0
_journal_page_last     0
_journal_paper_category     HO
_journal_paper_doi     10.1107/S2414314623000342
_journal_coeditor_code     BT4131
_publ_contact_author_name     'Heiner Detert'
_publ_contact_author_address
;
University of Mainz
Department of Chemistry
Duesbergweg 10-14
55099 Mainz
Germany
;
_publ_contact_author_email     'detert@uni-mainz.de'
_publ_contact_author_fax     '+496131-3925338'
_publ_contact_author_phone     '+496131-3924189'
_publ_section_title
;
2,5-Bis[5-(3,5-didodecyloxyphenyl)-1,3,4-oxadiazol-2-yl]-3,6-dimethylpyrazine
;
loop_
    _publ_author_name
    _publ_author_address
    'Joa, Benedikt'
;
University of Mainz
Department of Chemistry
Duesbergweg 10-14
55099 Mainz
Germany
;
    'Schollmeyer, Dieter'
;
University of Mainz
Department of Chemistry
Duesbergweg 10-14
55099 Mainz
Germany
;
    'Detert, Heiner'
;
University of Mainz
Department of Chemistry
Duesbergweg 10-14
55099 Mainz
Germany
;
_publ_section_synopsis
;
The nearly planar molecule is centrosymmetric with two all-s-trans chains, the
other two chains have an s-cis unit starting with the oxygen atoms. The chains
are interdigitated.
;
