##############################################################################
###                                                                        ###
###        Electronic paper (Acta Crystallographica Section E)             ###
###                                                                        ###
##############################################################################
#                                                                            #
# This CIF contains the data in a paper accepted for publication in Acta     #
# Crystallographica Section E. It conforms to the requirements of Notes      #
# for Authors for Section E, and has been peer reviewed under the auspices   #
# of the IUCr Commission on Journals.                                        #
#                                                                            #
# 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. The current version number is 2.1.    #
#                                                                            #
# Software is freely available for graphical display of the structure(s) in  #
# this CIF.  For information consult the CIF home page http://www.iucr.org/  #
# cif/home.html                                                              #
#                                                                            #
#            Copyright International Union of Crystallography                #
#                                                                            #
##############################################################################
                                             
data_I
_audit_creation_method     SHELXL-97
_chemical_name_systematic
;
 ?
;
_chemical_name_common     ?
_chemical_formula_moiety     'C24 H19 Cl4 N O7'
_chemical_formula_sum     'C24 H19 Cl4 N O7'
_chemical_formula_weight     575.20
_chemical_melting_point     465
_symmetry_cell_setting     orthorhombic
_symmetry_space_group_name_H-M     'P 21 21 21'
_symmetry_space_group_name_Hall     'P 2ac 2 ab'
loop_
    _symmetry_equiv_pos_as_xyz
    'x, y, z'
    '-x+1/2, -y, z+1/2'
    '-x, y+1/2, -z+1/2'
    'x+1/2, -y+1/2, -z'
_cell_length_a     8.0242(15)
_cell_length_b     17.487(3)
_cell_length_c     17.969(3)
_cell_angle_alpha     90.00
_cell_angle_beta     90.00
_cell_angle_gamma     90.00
_cell_volume     2521.3(8)
_cell_formula_units_Z     4
_cell_measurement_reflns_used     ?
_cell_measurement_theta_min     ?
_cell_measurement_theta_max     ?
_cell_measurement_temperature     294(2)
_exptl_crystal_description     Prism
_exptl_crystal_colour     colourless
_exptl_crystal_size_max     0.30
_exptl_crystal_size_mid     0.26
_exptl_crystal_size_min     0.20
_exptl_crystal_density_diffrn     1.515
_exptl_crystal_density_meas     ?
_exptl_crystal_density_method     'not measured'
_exptl_crystal_F_000     1176
_exptl_absorpt_coefficient_mu     0.515
_exptl_absorpt_correction_type     multi-scan
_exptl_absorpt_process_details     '(SADABS; Bruker, 1997)'
_exptl_absorpt_correction_T_min     0.861
_exptl_absorpt_correction_T_max     0.904
_exptl_special_details
;
 ¹H
NMR (300 MHz, CDCl₃): δ 7.50--7.26 (m, 5H), 5.72 (d, 1H,
J = 8.3 Hz), 5.50 (s, 1H), 5.30--5.19 (m, 2H), 5.14--5.07
(m, 1H), 4.62--4.55 (m, 1H), 4.39--4.16 (m, 3H),
4.06--4.00 (m, 1H), 3.86--3.78 (m, 1H), 3.61--3.58 (m,
2H), 2.87 (d, 1H, J = 3.7 Hz); ¹³C NMR (75 MHz, CDCl₃):
δ140.26, 136.81, 133.25, 129.29, 128.30, 127.17, 126.09, 117.92 (CH₂),
101.77, 97.64, 82.00, 70.13 (CH₂), 68.60 (CH₂), 68.16, 66.34, 57.08;
ESI--MS: m/z 596.1 (M⁺ + Na)
;
_diffrn_ambient_temperature     294(2)
_diffrn_radiation_type     MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_source     'fine-focus sealed tube'
_diffrn_radiation_monochromator     graphite
_diffrn_measurement_device_type     'Bruker SMART CCD'
_diffrn_measurement_method     ω
_diffrn_detector_area_resol_mean     ?
_diffrn_reflns_number     14278
_diffrn_reflns_av_R_equivalents     0.0429
_diffrn_reflns_av_sigmaI/netI     0.0554
_diffrn_reflns_theta_min     1.62
_diffrn_reflns_theta_max     26.35
_diffrn_reflns_theta_full     26.35
_diffrn_measured_fraction_theta_max     0.998
_diffrn_measured_fraction_theta_full     0.998
_diffrn_reflns_limit_h_min     -9
_diffrn_reflns_limit_h_max     10
_diffrn_reflns_limit_k_min     -21
_diffrn_reflns_limit_k_max     12
_diffrn_reflns_limit_l_min     -21
_diffrn_reflns_limit_l_max     22
_diffrn_standards_number     ?
_diffrn_standards_interval_count     ?
_diffrn_standards_interval_time     ?
_diffrn_standards_decay_%     ?
_refine_special_details
;
 Refinement of F² against ALL reflections.  The weighted R-factor wR and
 goodness of fit S are based on F², conventional R-factors R are based
 on F, with F set to zero for negative F². The threshold expression of
 F² > 2sigma(F²) is used only for calculating R-factors(gt) etc. and is
 not relevant to the choice of reflections for refinement.  R-factors based
 on F² are statistically about twice as large as those based on F, and R-
 factors based on ALL data will be even larger.
;
_reflns_number_total     5119
_reflns_number_gt     3373
_reflns_threshold_expression     I>2σ(I)
_refine_ls_structure_factor_coef     Fsqd
_refine_ls_matrix_type     full
_refine_ls_R_factor_all     0.0832
_refine_ls_R_factor_gt     0.0425
_refine_ls_wR_factor_gt     0.0794
_refine_ls_wR_factor_ref     0.0946
_refine_ls_goodness_of_fit_ref     0.959
_refine_ls_restrained_S_all     0.959
_refine_ls_number_reflns     5119
_refine_ls_number_parameters     326
_refine_ls_number_restraints     0
_refine_ls_hydrogen_treatment     constr
_refine_ls_weighting_scheme     calc
_refine_ls_weighting_details
         'calc w=1/[σ²(Fo²)+(0.0363P)²+0.6629P] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_hydrogens     geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary     difmap
_refine_ls_shift/su_max     0.006
_refine_ls_shift/su_mean     0.001
_refine_diff_density_max     0.188
_refine_diff_density_min     -0.231
_refine_ls_extinction_method     none
_refine_ls_extinction_coef     ?
_refine_ls_abs_structure_details     'Flack (1983), 2201 Friedel pairs'
_refine_ls_abs_structure_Flack     -0.08(7)
loop_
    _atom_type_symbol
    _atom_type_description
    _atom_type_scat_dispersion_real
    _atom_type_scat_dispersion_imag
    _atom_type_scat_source
    'C' 'C' 0.0033 0.0016
                         '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' 0.0061 0.0033
                         'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
    'O' 'O' 0.0106 0.0060
                         'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
    'Cl' 'Cl' 0.1484 0.1585
                         'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
_computing_data_collection     'SMART (Bruker, 1997)'
_computing_cell_refinement     'SAINT (Bruker, 1997)'
_computing_data_reduction     'SAINT'
_computing_structure_solution     'SHELXS-97 (Sheldrick, 1997)'
_computing_structure_refinement     'SHELXL-97 (Sheldrick, 1997)'
_computing_molecular_graphics     'SHELXTL (Bruker, 1997)'
_computing_publication_material     'SHELXTL'
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_refinement_flags
    _atom_site_occupancy
    _atom_site_disorder_assembly
    _atom_site_disorder_group
    Cl Cl1 0.70633(12) 0.56105(5) -0.03722(5) 0.0606(2) Uani d . 1 . .
    Cl Cl2 0.84621(17) 0.70527(5) 0.04295(7) 0.0977(4) Uani d . 1 . .
    Cl Cl3 0.98845(14) 0.69431(6) 0.20248(7) 0.0872(4) Uani d . 1 . .
    Cl Cl4 0.99076(18) 0.53677(7) 0.28546(6) 0.1006(4) Uani d . 1 . .
    O O1 0.9094(3) 0.36914(15) 0.23891(13) 0.0670(7) Uani d . 1 . .
    O O2 0.6901(3) 0.38582(11) 0.00436(11) 0.0450(5) Uani d . 1 . .
    O O3 1.0009(3) 0.23551(12) 0.06678(13) 0.0520(6) Uani d . 1 . .
    H H3 1.0435 0.1967 0.0497 0.078 Uiso calc R 1 . .
    O O4 0.5284(3) 0.30222(13) 0.20587(12) 0.0519(6) Uani d . 1 . .
    O O5 0.5343(3) 0.18510(11) 0.15057(11) 0.0453(5) Uani d . 1 . .
    O O6 0.5885(3) 0.01967(12) 0.03117(12) 0.0496(6) Uani d . 1 . .
    O O7 0.8106(2) 0.10317(11) 0.01122(11) 0.0447(5) Uani d . 1 . .
    N N1 0.7923(3) 0.35790(13) 0.12169(13) 0.0381(6) Uani d . 1 . .
    C C1 0.8635(4) 0.39799(19) 0.18217(19) 0.0476(8) Uani d . 1 . .
    C C2 0.8658(4) 0.47955(18) 0.15820(18) 0.0438(8) Uani d . 1 . .
    C C3 0.9210(4) 0.5436(2) 0.1951(2) 0.0568(9) Uani d . 1 . .
    C C4 0.9153(4) 0.6138(2) 0.1584(2) 0.0578(10) Uani d . 1 . .
    C C5 0.8506(4) 0.61918(19) 0.0868(2) 0.0554(9) Uani d . 1 . .
    C C6 0.7903(4) 0.55352(18) 0.05008(18) 0.0468(8) Uani d . 1 . .
    C C7 0.8014(4) 0.48449(17) 0.08634(17) 0.0406(7) Uani d . 1 . .
    C C8 0.7519(4) 0.40579(17) 0.06269(17) 0.0378(7) Uani d . 1 . .
    C C9 0.7547(4) 0.27618(16) 0.12750(16) 0.0381(7) Uani d . 1 . .
    H H9 0.8106 0.2581 0.1727 0.046 Uiso calc R 1 . .
    C C10 0.5673(4) 0.26406(18) 0.14048(17) 0.0420(8) Uani d . 1 . .
    H H10 0.5024 0.2845 0.0988 0.050 Uiso calc R 1 . .
    C C11 0.5791(4) 0.14304(17) 0.08593(17) 0.0391(7) Uani d . 1 . .
    H H11 0.5221 0.1642 0.0423 0.047 Uiso calc R 1 . .
    C C12 0.7671(4) 0.14780(16) 0.07512(16) 0.0365(7) Uani d . 1 . .
    H H12 0.8226 0.1265 0.1190 0.044 Uiso calc R 1 . .
    C C13 0.8239(4) 0.22870(15) 0.06413(16) 0.0370(7) Uani d . 1 . .
    H H13 0.7822 0.2482 0.0165 0.044 Uiso calc R 1 . .
    C C14 0.3563(4) 0.3014(2) 0.2255(2) 0.0628(10) Uani d . 1 . .
    H H14A 0.3167 0.2491 0.2290 0.075 Uiso calc R 1 . .
    H H14B 0.2913 0.3277 0.1879 0.075 Uiso calc R 1 . .
    C C15 0.3375(6) 0.3403(2) 0.2983(2) 0.0730(12) Uani d . 1 . .
    H H15 0.2294 0.3491 0.3149 0.088 Uiso calc R 1 . .
    C C16 0.4553(7) 0.3630(3) 0.3403(2) 0.0928(15) Uani d . 1 . .
    H H16A 0.5656 0.3555 0.3261 0.111 Uiso calc R 1 . .
    H H16B 0.4312 0.3870 0.3852 0.111 Uiso calc R 1 . .
    C C17 0.5326(4) 0.06032(17) 0.09557(17) 0.0495(8) Uani d . 1 . .
    H H17A 0.5850 0.0397 0.1399 0.059 Uiso calc R 1 . .
    H H17B 0.4128 0.0553 0.1008 0.059 Uiso calc R 1 . .
    C C18 0.7619(4) 0.02616(17) 0.02053(18) 0.0449(8) Uani d . 1 . .
    H H18 0.8190 0.0052 0.0642 0.054 Uiso calc R 1 . .
    C C19 0.8114(4) -0.01946(18) -0.04691(19) 0.0472(8) Uani d . 1 . .
    C C20 0.8116(5) -0.09824(19) -0.0437(2) 0.0693(11) Uani d . 1 . .
    H H20 0.7788 -0.1228 -0.0001 0.083 Uiso calc R 1 . .
    C C21 0.8599(6) -0.1408(2) -0.1043(3) 0.0845(14) Uani d . 1 . .
    H H21 0.8611 -0.1939 -0.1012 0.101 Uiso calc R 1 . .
    C C22 0.9059(5) -0.1061(3) -0.1690(2) 0.0812(13) Uani d . 1 . .
    H H22 0.9363 -0.1352 -0.2102 0.097 Uiso calc R 1 . .
    C C23 0.9069(6) -0.0283(3) -0.1726(2) 0.0858(14) Uani d . 1 . .
    H H23 0.9400 -0.0041 -0.2162 0.103 Uiso calc R 1 . .
    C C24 0.8592(5) 0.0148(2) -0.1120(2) 0.0703(12) Uani d . 1 . .
    H H24 0.8594 0.0679 -0.1155 0.084 Uiso calc R 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
    Cl1 C6 . 1.712(3) ?
    Cl2 C5 . 1.700(4) ?
    Cl3 C4 . 1.719(3) ?
    Cl4 C3 . 1.722(4) ?
    O1 C1 . 1.196(4) ?
    O2 C8 . 1.211(3) ?
    O3 C13 . 1.426(3) ?
    O3 H3 . 0.8200 ?
    O4 C10 . 1.387(4) ?
    O4 C14 . 1.426(4) ?
    O5 C10 . 1.417(4) ?
    O5 C11 . 1.421(4) ?
    O6 C18 . 1.409(4) ?
    O6 C17 . 1.430(4) ?
    O7 C18 . 1.412(3) ?
    O7 C12 . 1.432(3) ?
    N1 C8 . 1.389(4) ?
    N1 C1 . 1.414(4) ?
    N1 C9 . 1.464(4) ?
    C1 C2 . 1.490(5) ?
    C2 C3 . 1.375(4) ?
    C2 C7 . 1.393(4) ?
    C3 C4 . 1.394(5) ?
    C4 C5 . 1.391(5) ?
    C5 C6 . 1.410(4) ?
    C6 C7 . 1.374(4) ?
    C7 C8 . 1.494(4) ?
    C9 C13 . 1.515(4) ?
    C9 C10 . 1.536(4) ?
    C9 H9 . 0.9800 ?
    C10 H10 . 0.9800 ?
    C11 C17 . 1.504(4) ?
    C11 C12 . 1.523(4) ?
    C11 H11 . 0.9800 ?
    C12 C13 . 1.499(4) ?
    C12 H12 . 0.9800 ?
    C13 H13 . 0.9800 ?
    C14 C15 . 1.483(5) ?
    C14 H14A . 0.9700 ?
    C14 H14B . 0.9700 ?
    C15 C16 . 1.273(6) ?
    C15 H15 . 0.9300 ?
    C16 H16A . 0.9300 ?
    C16 H16B . 0.9300 ?
    C17 H17A . 0.9700 ?
    C17 H17B . 0.9700 ?
    C18 C19 . 1.504(4) ?
    C18 H18 . 0.9800 ?
    C19 C24 . 1.370(5) ?
    C19 C20 . 1.379(4) ?
    C20 C21 . 1.376(5) ?
    C20 H20 . 0.9300 ?
    C21 C22 . 1.361(6) ?
    C21 H21 . 0.9300 ?
    C22 C23 . 1.363(6) ?
    C22 H22 . 0.9300 ?
    C23 C24 . 1.377(5) ?
    C23 H23 . 0.9300 ?
    C24 H24 . 0.9300 ?
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
    C13 O3 H3 . . 109.5 ?
    C10 O4 C14 . . 115.0(2) ?
    C10 O5 C11 . . 110.6(2) ?
    C18 O6 C17 . . 112.3(2) ?
    C18 O7 C12 . . 110.9(2) ?
    C8 N1 C1 . . 112.4(2) ?
    C8 N1 C9 . . 126.5(2) ?
    C1 N1 C9 . . 120.8(2) ?
    O1 C1 N1 . . 124.8(3) ?
    O1 C1 C2 . . 130.3(3) ?
    N1 C1 C2 . . 104.9(3) ?
    C3 C2 C7 . . 121.0(3) ?
    C3 C2 C1 . . 130.1(3) ?
    C7 C2 C1 . . 108.8(3) ?
    C2 C3 C4 . . 118.6(3) ?
    C2 C3 Cl4 . . 120.2(3) ?
    C4 C3 Cl4 . . 121.1(3) ?
    C5 C4 C3 . . 120.6(3) ?
    C5 C4 Cl3 . . 119.9(3) ?
    C3 C4 Cl3 . . 119.5(3) ?
    C4 C5 C6 . . 120.4(3) ?
    C4 C5 Cl2 . . 119.8(3) ?
    C6 C5 Cl2 . . 119.8(3) ?
    C7 C6 C5 . . 118.1(3) ?
    C7 C6 Cl1 . . 121.8(2) ?
    C5 C6 Cl1 . . 120.1(3) ?
    C6 C7 C2 . . 121.2(3) ?
    C6 C7 C8 . . 131.1(3) ?
    C2 C7 C8 . . 107.7(3) ?
    O2 C8 N1 . . 125.6(3) ?
    O2 C8 C7 . . 128.4(3) ?
    N1 C8 C7 . . 106.0(2) ?
    N1 C9 C13 . . 113.9(2) ?
    N1 C9 C10 . . 110.3(2) ?
    C13 C9 C10 . . 113.4(2) ?
    N1 C9 H9 . . 106.2 ?
    C13 C9 H9 . . 106.2 ?
    C10 C9 H9 . . 106.2 ?
    O4 C10 O5 . . 108.6(2) ?
    O4 C10 C9 . . 106.4(2) ?
    O5 C10 C9 . . 109.7(3) ?
    O4 C10 H10 . . 110.7 ?
    O5 C10 H10 . . 110.7 ?
    C9 C10 H10 . . 110.7 ?
    O5 C11 C17 . . 109.9(2) ?
    O5 C11 C12 . . 109.1(2) ?
    C17 C11 C12 . . 108.2(3) ?
    O5 C11 H11 . . 109.9 ?
    C17 C11 H11 . . 109.9 ?
    C12 C11 H11 . . 109.9 ?
    O7 C12 C13 . . 109.5(2) ?
    O7 C12 C11 . . 108.3(2) ?
    C13 C12 C11 . . 111.7(3) ?
    O7 C12 H12 . . 109.1 ?
    C13 C12 H12 . . 109.1 ?
    C11 C12 H12 . . 109.1 ?
    O3 C13 C12 . . 112.2(2) ?
    O3 C13 C9 . . 107.1(2) ?
    C12 C13 C9 . . 107.9(2) ?
    O3 C13 H13 . . 109.9 ?
    C12 C13 H13 . . 109.9 ?
    C9 C13 H13 . . 109.9 ?
    O4 C14 C15 . . 108.2(3) ?
    O4 C14 H14A . . 110.1 ?
    C15 C14 H14A . . 110.1 ?
    O4 C14 H14B . . 110.1 ?
    C15 C14 H14B . . 110.1 ?
    H14A C14 H14B . . 108.4 ?
    C16 C15 C14 . . 126.2(4) ?
    C16 C15 H15 . . 116.9 ?
    C14 C15 H15 . . 116.9 ?
    C15 C16 H16A . . 120.0 ?
    C15 C16 H16B . . 120.0 ?
    H16A C16 H16B . . 120.0 ?
    O6 C17 C11 . . 107.9(2) ?
    O6 C17 H17A . . 110.1 ?
    C11 C17 H17A . . 110.1 ?
    O6 C17 H17B . . 110.1 ?
    C11 C17 H17B . . 110.1 ?
    H17A C17 H17B . . 108.4 ?
    O6 C18 O7 . . 111.5(3) ?
    O6 C18 C19 . . 109.1(2) ?
    O7 C18 C19 . . 109.7(3) ?
    O6 C18 H18 . . 108.8 ?
    O7 C18 H18 . . 108.8 ?
    C19 C18 H18 . . 108.8 ?
    C24 C19 C20 . . 118.3(3) ?
    C24 C19 C18 . . 122.0(3) ?
    C20 C19 C18 . . 119.7(3) ?
    C21 C20 C19 . . 120.5(4) ?
    C21 C20 H20 . . 119.8 ?
    C19 C20 H20 . . 119.8 ?
    C22 C21 C20 . . 120.8(4) ?
    C22 C21 H21 . . 119.6 ?
    C20 C21 H21 . . 119.6 ?
    C21 C22 C23 . . 119.1(4) ?
    C21 C22 H22 . . 120.5 ?
    C23 C22 H22 . . 120.5 ?
    C22 C23 C24 . . 120.5(4) ?
    C22 C23 H23 . . 119.7 ?
    C24 C23 H23 . . 119.7 ?
    C19 C24 C23 . . 120.8(4) ?
    C19 C24 H24 . . 119.6 ?
    C23 C24 H24 . . 119.6 ?
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
    C8 N1 C1 O1 . . . . -179.4(3) ?
    C9 N1 C1 O1 . . . . 5.9(5) ?
    C8 N1 C1 C2 . . . . 0.6(3) ?
    C9 N1 C1 C2 . . . . -174.1(2) ?
    O1 C1 C2 C3 . . . . -0.2(6) ?
    N1 C1 C2 C3 . . . . 179.8(3) ?
    O1 C1 C2 C7 . . . . 178.8(4) ?
    N1 C1 C2 C7 . . . . -1.2(3) ?
    C7 C2 C3 C4 . . . . -1.6(5) ?
    C1 C2 C3 C4 . . . . 177.4(3) ?
    C7 C2 C3 Cl4 . . . . 176.9(3) ?
    C1 C2 C3 Cl4 . . . . -4.2(5) ?
    C2 C3 C4 C5 . . . . 1.8(5) ?
    Cl4 C3 C4 C5 . . . . -176.6(3) ?
    C2 C3 C4 Cl3 . . . . -178.4(3) ?
    Cl4 C3 C4 Cl3 . . . . 3.2(5) ?
    C3 C4 C5 C6 . . . . -0.2(5) ?
    Cl3 C4 C5 C6 . . . . 179.9(3) ?
    C3 C4 C5 Cl2 . . . . -179.5(3) ?
    Cl3 C4 C5 Cl2 . . . . 0.7(4) ?
    C4 C5 C6 C7 . . . . -1.6(5) ?
    Cl2 C5 C6 C7 . . . . 177.7(3) ?
    C4 C5 C6 Cl1 . . . . 178.5(3) ?
    Cl2 C5 C6 Cl1 . . . . -2.3(4) ?
    C5 C6 C7 C2 . . . . 1.8(5) ?
    Cl1 C6 C7 C2 . . . . -178.2(2) ?
    C5 C6 C7 C8 . . . . -179.1(3) ?
    Cl1 C6 C7 C8 . . . . 0.9(5) ?
    C3 C2 C7 C6 . . . . -0.3(5) ?
    C1 C2 C7 C6 . . . . -179.4(3) ?
    C3 C2 C7 C8 . . . . -179.5(3) ?
    C1 C2 C7 C8 . . . . 1.3(3) ?
    C1 N1 C8 O2 . . . . 179.8(3) ?
    C9 N1 C8 O2 . . . . -5.9(5) ?
    C1 N1 C8 C7 . . . . 0.2(3) ?
    C9 N1 C8 C7 . . . . 174.5(3) ?
    C6 C7 C8 O2 . . . . 0.3(6) ?
    C2 C7 C8 O2 . . . . 179.5(3) ?
    C6 C7 C8 N1 . . . . 179.9(3) ?
    C2 C7 C8 N1 . . . . -0.9(3) ?
    C8 N1 C9 C13 . . . . 57.2(4) ?
    C1 N1 C9 C13 . . . . -129.0(3) ?
    C8 N1 C9 C10 . . . . -71.8(3) ?
    C1 N1 C9 C10 . . . . 102.1(3) ?
    C14 O4 C10 O5 . . . . -65.4(3) ?
    C14 O4 C10 C9 . . . . 176.6(3) ?
    C11 O5 C10 O4 . . . . -177.5(2) ?
    C11 O5 C10 C9 . . . . -61.6(3) ?
    N1 C9 C10 O4 . . . . -59.2(3) ?
    C13 C9 C10 O4 . . . . 171.6(2) ?
    N1 C9 C10 O5 . . . . -176.4(2) ?
    C13 C9 C10 O5 . . . . 54.4(3) ?
    C10 O5 C11 C17 . . . . -176.2(3) ?
    C10 O5 C11 C12 . . . . 65.3(3) ?
    C18 O7 C12 C13 . . . . 178.7(2) ?
    C18 O7 C12 C11 . . . . -59.3(3) ?
    O5 C11 C12 O7 . . . . 178.2(2) ?
    C17 C11 C12 O7 . . . . 58.6(3) ?
    O5 C11 C12 C13 . . . . -61.1(3) ?
    C17 C11 C12 C13 . . . . 179.3(2) ?
    O7 C12 C13 O3 . . . . -70.1(3) ?
    C11 C12 C13 O3 . . . . 169.9(2) ?
    O7 C12 C13 C9 . . . . 172.2(2) ?
    C11 C12 C13 C9 . . . . 52.2(3) ?
    N1 C9 C13 O3 . . . . 62.4(3) ?
    C10 C9 C13 O3 . . . . -170.2(2) ?
    N1 C9 C13 C12 . . . . -176.6(2) ?
    C10 C9 C13 C12 . . . . -49.3(3) ?
    C10 O4 C14 C15 . . . . 176.7(3) ?
    O4 C14 C15 C16 . . . . -7.3(6) ?
    C18 O6 C17 C11 . . . . 58.9(3) ?
    O5 C11 C17 O6 . . . . -176.7(2) ?
    C12 C11 C17 O6 . . . . -57.7(3) ?
    C17 O6 C18 O7 . . . . -60.0(3) ?
    C17 O6 C18 C19 . . . . 178.7(2) ?
    C12 O7 C18 O6 . . . . 59.9(3) ?
    C12 O7 C18 C19 . . . . -179.2(2) ?
    O6 C18 C19 C24 . . . . 108.5(4) ?
    O7 C18 C19 C24 . . . . -13.9(4) ?
    O6 C18 C19 C20 . . . . -72.4(4) ?
    O7 C18 C19 C20 . . . . 165.2(3) ?
    C24 C19 C20 C21 . . . . 0.5(6) ?
    C18 C19 C20 C21 . . . . -178.6(3) ?
    C19 C20 C21 C22 . . . . -1.0(7) ?
    C20 C21 C22 C23 . . . . 1.3(7) ?
    C21 C22 C23 C24 . . . . -1.1(7) ?
    C20 C19 C24 C23 . . . . -0.3(6) ?
    C18 C19 C24 C23 . . . . 178.8(4) ?
    C22 C23 C24 C19 . . . . 0.7(7) ?
loop_
    _geom_hbond_atom_site_label_D
    _geom_hbond_atom_site_label_H
    _geom_hbond_atom_site_label_A
    _geom_hbond_site_symmetry_A
    _geom_hbond_distance_DH
    _geom_hbond_distance_HA
    _geom_hbond_distance_DA
    _geom_hbond_angle_DHA
    O3 H3 O2 4 0.82 2.10 2.905(3) 167
data_New_Global_Publ_Block
_journal_date_recd_electronic     2006-10-08
_journal_date_accepted     2006-10-19
_journal_name_full     'Acta Crystallographica, Section E'
_journal_year     2006
_journal_volume     62
_journal_issue     11
_journal_page_first     o5163
_journal_page_last     o5164
_journal_paper_category     EO
_journal_coeditor_code     HB2167
_publ_contact_author_name     'Chu-Yi Yu^*^'
_publ_contact_author_address
;
Beijing National Laboratory for Molecular Science (BNLMS),
Laboratory for Chemical Biology, Institute of Chemistry,
Chinese Academy of Sciences,
Beijing 100080,
People's Republic of China
;
_publ_contact_author_email     'yucy@iccas.ac.cn'
_publ_contact_author_fax     '86-10-62554449'
_publ_contact_author_phone     '86-10-62610366'
_publ_section_title
;\
Allyl
2-tetrachlorophthalimido-4,6-O-benzylidine-2-deoxy-β-D-\
glucopyranoside
;
_publ_section_title_footnote     .
loop_
    _publ_author_name
    _publ_author_footnote
    _publ_author_address
    'Yu, Chu-Yi' .
;
Beijing National Laboratory for Molecular Science (BNLMS),
Laboratory for Chemical Biology, Institute of Chemistry,
Chinese Academy of Sciences,
Beijing 100080,
People's Republic of China
;
    'Qiao, Yan' .
;
Graduate University of the Chinese Academy of Sciences,
Beijing 100049, People's Republic of China
;
    'Gao, Hong-Yun' .
;
Graduate University of the Chinese Academy of Sciences,
Beijing 100049, People's Republic of China
;
_publ_section_synopsis     .
