##############################################################################
###                                                                        ###
###        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 2.4.    #
#                                                                            #
# 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                                                              #
#                                                                            #
# This file may be used for bona fide research purposes within the           #
# scientific community so long as proper attribution is given to the journal # 
# article from which it was obtained.                                        #
#                                                                            #
##############################################################################
                                             
data_global
_audit_creation_method     'form.cif (version 2.0)'
_journal_data_validation_number     ?
_journal_date_recd_electronic     2010-10-29
_journal_date_accepted     2010-12-02
_journal_name_full     'Acta Crystallographica, Section E'
_journal_year     2011
_journal_volume     67
_journal_issue      1
_journal_page_first     o57
_journal_page_last     o57
_journal_paper_category     QO
_journal_coeditor_code     NC2204
_publ_contact_author_name     'Timothy P. Bender'
_publ_contact_author_address
;
Department of Chemical Engineering & Applied Chemistry, University of Toronto,
 200 College Street, Toronto, Ontario, Canada M5S 3E5
;
_publ_contact_author_email     tim.bender@utoronto.ca
_publ_contact_author_fax     ?
_publ_contact_author_phone     '416 978 6140'
_publ_section_title
;
(4-Nitrophenolato)(subphthalocyaninato)boron(III)
;
_publ_section_title_footnote
;
 Electron withdrawing groups in the para position of the phenoxy molecular
fragment. Part 2. For Part 1, see Paton et al. (2010).
;
loop_
    _publ_author_name
    _publ_author_address
    'Paton, Andrew S.'
;
Department of Chemical Engineering & Applied Chemistry, University of Toronto,
200 College Street, Toronto, Ontario, Canada M5S 3E5
;
    'Lough, Alan J.'
;
Department of Chemistry, University of Toronto, 80 St. George Street, Toronto,
Ontario, Canada M5S 3H6
;
    'Bender, Timothy P.'
;
Department of Chemical Engineering & Applied Chemistry, University of Toronto,
200 College Street, Toronto, Ontario, Canada M5S 3E5
;
_exptl_special_details
;
Single crystals suitable for diffraction were grown using vapour diffusion of
heptane into a solution of the product in benzene.
¹H(400 MHz; CDCl₃; Me₄Si) 5.40 (2H, d), 7.67 (2H, d), 7.93-7.95 (6H, m),
8.87-8.89 (6H, m); λₘₐₓ(CHCl3)= 563 nm.
;
data_I
_audit_creation_method     SHELXL-97
_chemical_name_systematic
;
(7,12:14,19-diimino-21,5-nitrilo-5H-
tribenzo[c,h,m][1,6,11]triazacyclopentadecinato)(4-nitrophenoxy)boron(III)
;
_chemical_name_common     ?
_chemical_formula_moiety     'C30 H16 B N7 O3'
_chemical_formula_sum     'C30 H16 B N7 O3'
_chemical_formula_iupac     'C30 H16 B N7 O3'
_chemical_formula_weight     533.31
_chemical_melting_point     ?
_symmetry_cell_setting     monoclinic
_symmetry_space_group_name_H-M     'P 21/n'
_symmetry_space_group_name_Hall     '-P 2yn'
loop_
    _symmetry_equiv_pos_as_xyz
    'x, y, z'
    '-x+1/2, y+1/2, -z+1/2'
    '-x, -y, -z'
    'x-1/2, -y-1/2, z-1/2'
_cell_length_a     15.6597(4)
_cell_length_b     8.29590(10)
_cell_length_c     19.5409(5)
_cell_angle_alpha     90.00
_cell_angle_beta     110.3060(9)
_cell_angle_gamma     90.00
_cell_volume     2380.82(9)
_cell_formula_units_Z     4
_cell_measurement_reflns_used     19982
_cell_measurement_theta_min     2.7
_cell_measurement_theta_max     27.5
_cell_measurement_temperature     150.0(10)
_exptl_crystal_description     'needle'
_exptl_crystal_colour     'purple'
_exptl_crystal_size_max     0.40
_exptl_crystal_size_mid     0.26
_exptl_crystal_size_min     0.20
_exptl_crystal_density_diffrn     1.488
_exptl_crystal_density_meas     ?
_exptl_crystal_density_method     'not measured'
_exptl_crystal_F_000     1096
_exptl_absorpt_coefficient_mu     0.100
_exptl_absorpt_correction_type     multi-scan
_exptl_absorpt_process_details
;
(SORTAV; Blessing, 1995)
;
_exptl_absorpt_correction_T_min     0.788
_exptl_absorpt_correction_T_max     1.002
_exptl_special_details
;
;
_diffrn_ambient_temperature     150.0(10)
_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     'Nonius KappaCCD'
_diffrn_measurement_method     'φ scans and ω scans with κ offsets'
_diffrn_detector_area_resol_mean     9
_diffrn_reflns_number     19982
_diffrn_reflns_av_R_equivalents     0.0515
_diffrn_reflns_av_sigmaI/netI     0.0510
_diffrn_reflns_theta_min     2.70
_diffrn_reflns_theta_max     27.47
_diffrn_reflns_theta_full     27.47
_diffrn_measured_fraction_theta_max     0.993
_diffrn_measured_fraction_theta_full     0.993
_diffrn_reflns_limit_h_min     -20
_diffrn_reflns_limit_h_max     20
_diffrn_reflns_limit_k_min     -10
_diffrn_reflns_limit_k_max     10
_diffrn_reflns_limit_l_min     -20
_diffrn_reflns_limit_l_max     25
_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 >
σ(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     5413
_reflns_number_gt     3646
_reflns_threshold_expression     I>2σ(I)
_refine_ls_structure_factor_coef     Fsqd
_refine_ls_matrix_type     full
_refine_ls_R_factor_all     0.0841
_refine_ls_R_factor_gt     0.0493
_refine_ls_wR_factor_gt     0.1192
_refine_ls_wR_factor_ref     0.1412
_refine_ls_goodness_of_fit_ref     1.030
_refine_ls_restrained_S_all     1.030
_refine_ls_number_reflns     5413
_refine_ls_number_parameters     371
_refine_ls_number_restraints     0
_refine_ls_hydrogen_treatment     constr
_refine_ls_weighting_scheme     calc
_refine_ls_weighting_details
         'calc w=1/[σ²(Fo²)+(0.0779P)²+0.3383P] 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     0.001
_refine_ls_shift/su_mean     0.000
_refine_diff_density_max     0.270
_refine_diff_density_min     -0.326
_refine_ls_extinction_method     'SHELXTL (Version 6.1; Sheldrick, 2008)'
_refine_ls_extinction_coef     0.0062(13)
_refine_ls_extinction_expression
                                  'Fc^*^=kFc[1+0.001xFc²λ³/sin(2θ)]^-1/4^'
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'
    'B' 'B' 0.0013 0.0007
                         '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'
_computing_data_collection     'COLLECT (Nonius, 2002)'
_computing_cell_refinement     'DENZO-SMN (Otwinowski & Minor, 1997)'
_computing_data_reduction     'DENZO-SMN (Otwinowski & Minor, 1997)'
_computing_structure_solution     'SIR92 (Altomare et al., 1994)'
_computing_structure_refinement     'SHELXTL (Sheldrick, 2008)'
_computing_molecular_graphics     'PLATON (Spek, 2009)'
_computing_publication_material     'SHELXTL (Sheldrick, 2008)'
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
    O O1 0.16074(8) 0.41514(14) 0.53315(7) 0.0317(3) Uani d . 1 . .
    O O2 0.02540(12) 1.06889(18) 0.61544(8) 0.0608(5) Uani d . 1 . .
    O O3 0.15045(11) 1.04404(18) 0.70707(8) 0.0506(4) Uani d . 1 . .
    N N1 0.23549(10) 0.23375(17) 0.47826(8) 0.0264(3) Uani d . 1 . .
    N N2 0.27422(10) 0.41366(17) 0.39899(8) 0.0280(3) Uani d . 1 . .
    N N3 0.31349(10) 0.47425(16) 0.52541(8) 0.0257(3) Uani d . 1 . .
    N N4 0.41782(10) 0.47197(17) 0.64801(8) 0.0278(4) Uani d . 1 . .
    N N5 0.30600(10) 0.26475(17) 0.60546(8) 0.0264(3) Uani d . 1 . .
    N N6 0.26077(10) 0.00320(18) 0.55444(8) 0.0295(4) Uani d . 1 . .
    N N7 0.09529(12) 0.99495(19) 0.64927(9) 0.0365(4) Uani d . 1 . .
    C C1 0.23052(12) 0.0710(2) 0.48797(10) 0.0260(4) Uani d . 1 . .
    C C2 0.21032(12) 0.0005(2) 0.41596(10) 0.0274(4) Uani d . 1 . .
    C C3 0.19231(12) -0.1576(2) 0.39047(10) 0.0307(4) Uani d . 1 . .
    H H3A 0.1886 -0.2423 0.4221 0.037 Uiso calc R 1 . .
    C C4 0.18000(13) -0.1875(2) 0.31828(11) 0.0339(5) Uani d . 1 . .
    H H4A 0.1664 -0.2940 0.2999 0.041 Uiso calc R 1 . .
    C C5 0.18705(14) -0.0644(2) 0.27145(11) 0.0349(5) Uani d . 1 . .
    H H5A 0.1789 -0.0893 0.2221 0.042 Uiso calc R 1 . .
    C C6 0.20568(12) 0.0928(2) 0.29572(10) 0.0314(4) Uani d . 1 . .
    H H6A 0.2113 0.1756 0.2639 0.038 Uiso calc R 1 . .
    C C7 0.21605(12) 0.1264(2) 0.36818(10) 0.0279(4) Uani d . 1 . .
    C C8 0.23789(12) 0.2738(2) 0.41126(10) 0.0267(4) Uani d . 1 . .
    C C9 0.31727(12) 0.5053(2) 0.45789(10) 0.0268(4) Uani d . 1 . .
    C C10 0.38989(12) 0.6226(2) 0.46887(10) 0.0285(4) Uani d . 1 . .
    C C11 0.42434(13) 0.6997(2) 0.42060(11) 0.0326(4) Uani d . 1 . .
    H H11A 0.3973 0.6845 0.3694 0.039 Uiso calc R 1 . .
    C C12 0.49891(14) 0.7987(2) 0.44965(11) 0.0349(5) Uani d . 1 . .
    H H12A 0.5225 0.8544 0.4176 0.042 Uiso calc R 1 . .
    C C13 0.54074(13) 0.8193(2) 0.52464(11) 0.0331(5) Uani d . 1 . .
    H H13A 0.5921 0.8885 0.5425 0.040 Uiso calc R 1 . .
    C C14 0.50902(12) 0.7412(2) 0.57373(10) 0.0308(4) Uani d . 1 . .
    H H14A 0.5383 0.7540 0.6249 0.037 Uiso calc R 1 . .
    C C15 0.43269(12) 0.6432(2) 0.54535(10) 0.0283(4) Uani d . 1 . .
    C C16 0.38688(12) 0.5356(2) 0.58077(10) 0.0276(4) Uani d . 1 . .
    C C17 0.38092(12) 0.3310(2) 0.65744(9) 0.0268(4) Uani d . 1 . .
    C C18 0.42053(12) 0.2038(2) 0.70988(9) 0.0274(4) Uani d . 1 . .
    C C19 0.49496(12) 0.2021(2) 0.77467(10) 0.0317(4) Uani d . 1 . .
    H H19A 0.5284 0.2977 0.7932 0.038 Uiso calc R 1 . .
    C C20 0.51877(13) 0.0575(2) 0.81119(11) 0.0384(5) Uani d . 1 . .
    H H20A 0.5679 0.0548 0.8565 0.046 Uiso calc R 1 . .
    C C21 0.47226(13) -0.0857(2) 0.78312(11) 0.0384(5) Uani d . 1 . .
    H H21A 0.4902 -0.1832 0.8097 0.046 Uiso calc R 1 . .
    C C22 0.40048(13) -0.0871(2) 0.71720(10) 0.0341(4) Uani d . 1 . .
    H H22A 0.3709 -0.1850 0.6971 0.041 Uiso calc R 1 . .
    C C23 0.37281(12) 0.0595(2) 0.68102(10) 0.0282(4) Uani d . 1 . .
    C C24 0.30390(12) 0.0996(2) 0.61117(10) 0.0275(4) Uani d . 1 . .
    C C25 0.14725(12) 0.5556(2) 0.56414(10) 0.0273(4) Uani d . 1 . .
    C C26 0.19917(12) 0.6002(2) 0.63496(10) 0.0307(4) Uani d . 1 . .
    H H26A 0.2461 0.5311 0.6640 0.037 Uiso calc R 1 . .
    C C27 0.18261(12) 0.7450(2) 0.66318(10) 0.0302(4) Uani d . 1 . .
    H H27A 0.2188 0.7774 0.7111 0.036 Uiso calc R 1 . .
    C C28 0.11247(13) 0.8418(2) 0.62041(10) 0.0290(4) Uani d . 1 . .
    C C29 0.05805(13) 0.7966(2) 0.55091(10) 0.0322(4) Uani d . 1 . .
    H H29A 0.0088 0.8630 0.5232 0.039 Uiso calc R 1 . .
    C C30 0.07611(12) 0.6538(2) 0.52219(10) 0.0299(4) Uani d . 1 . .
    H H30A 0.0402 0.6226 0.4740 0.036 Uiso calc R 1 . .
    B B1 0.24932(14) 0.3530(2) 0.53782(11) 0.0264(4) Uani d . 1 . .
_geom_special_details
;
All e.s.d.'s (except the e.s.d. in the dihedral angle between two l.s. planes)
are estimated using the full covariance matrix. The cell e.s.d.'s are taken
into account individually in the estimation of e.s.d.'s in distances, angles
and torsion angles; correlations between e.s.d.'s in cell parameters are only
used when they are defined by crystal symmetry. An approximate (isotropic)
treatment of cell e.s.d.'s is used for estimating e.s.d.'s 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
    O1 C25 . 1.363(2) ?
    O1 B1 . 1.453(2) ?
    O2 N7 . 1.228(2) ?
    O3 N7 . 1.229(2) ?
    N1 C8 . 1.364(2) ?
    N1 C1 . 1.369(2) ?
    N1 B1 . 1.485(2) ?
    N2 C9 . 1.349(2) ?
    N2 C8 . 1.350(2) ?
    N3 C9 . 1.365(2) ?
    N3 C16 . 1.374(2) ?
    N3 B1 . 1.500(2) ?
    N4 C16 . 1.341(2) ?
    N4 C17 . 1.345(2) ?
    N5 C17 . 1.372(2) ?
    N5 C24 . 1.376(2) ?
    N5 B1 . 1.502(2) ?
    N6 C1 . 1.342(2) ?
    N6 C24 . 1.344(2) ?
    N7 C28 . 1.453(2) ?
    C1 C2 . 1.454(2) ?
    C2 C3 . 1.397(2) ?
    C2 C7 . 1.424(2) ?
    C3 C4 . 1.378(3) ?
    C3 H3A . 0.9500 ?
    C4 C5 . 1.401(3) ?
    C4 H4A . 0.9500 ?
    C5 C6 . 1.383(3) ?
    C5 H5A . 0.9500 ?
    C6 C7 . 1.396(2) ?
    C6 H6A . 0.9500 ?
    C7 C8 . 1.457(2) ?
    C9 C10 . 1.455(3) ?
    C10 C11 . 1.394(3) ?
    C10 C15 . 1.420(3) ?
    C11 C12 . 1.378(3) ?
    C11 H11A . 0.9500 ?
    C12 C13 . 1.393(3) ?
    C12 H12A . 0.9500 ?
    C13 C14 . 1.385(3) ?
    C13 H13A . 0.9500 ?
    C14 C15 . 1.392(3) ?
    C14 H14A . 0.9500 ?
    C15 C16 . 1.461(3) ?
    C17 C18 . 1.451(2) ?
    C18 C19 . 1.392(3) ?
    C18 C23 . 1.421(3) ?
    C19 C20 . 1.379(3) ?
    C19 H19A . 0.9500 ?
    C20 C21 . 1.401(3) ?
    C20 H20A . 0.9500 ?
    C21 C22 . 1.385(3) ?
    C21 H21A . 0.9500 ?
    C22 C23 . 1.398(3) ?
    C22 H22A . 0.9500 ?
    C23 C24 . 1.455(3) ?
    C25 C26 . 1.390(2) ?
    C25 C30 . 1.394(2) ?
    C26 C27 . 1.383(3) ?
    C26 H26A . 0.9500 ?
    C27 C28 . 1.383(3) ?
    C27 H27A . 0.9500 ?
    C28 C29 . 1.381(3) ?
    C29 C30 . 1.382(2) ?
    C29 H29A . 0.9500 ?
    C30 H30A . 0.9500 ?
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
    C25 O1 B1 . . 124.58(14) ?
    C8 N1 C1 . . 113.27(14) ?
    C8 N1 B1 . . 123.03(15) ?
    C1 N1 B1 . . 123.23(15) ?
    C9 N2 C8 . . 116.73(15) ?
    C9 N3 C16 . . 112.71(15) ?
    C9 N3 B1 . . 122.61(15) ?
    C16 N3 B1 . . 123.05(15) ?
    C16 N4 C17 . . 116.75(15) ?
    C17 N5 C24 . . 112.15(15) ?
    C17 N5 B1 . . 123.28(15) ?
    C24 N5 B1 . . 122.21(15) ?
    C1 N6 C24 . . 117.15(15) ?
    O2 N7 O3 . . 122.68(17) ?
    O2 N7 C28 . . 118.57(16) ?
    O3 N7 C28 . . 118.74(16) ?
    N6 C1 N1 . . 121.98(16) ?
    N6 C1 C2 . . 130.79(16) ?
    N1 C1 C2 . . 105.44(15) ?
    C3 C2 C7 . . 120.36(17) ?
    C3 C2 C1 . . 132.24(17) ?
    C7 C2 C1 . . 107.32(15) ?
    C4 C3 C2 . . 118.25(17) ?
    C4 C3 H3A . . 120.9 ?
    C2 C3 H3A . . 120.9 ?
    C3 C4 C5 . . 121.49(17) ?
    C3 C4 H4A . . 119.3 ?
    C5 C4 H4A . . 119.3 ?
    C6 C5 C4 . . 121.21(18) ?
    C6 C5 H5A . . 119.4 ?
    C4 C5 H5A . . 119.4 ?
    C5 C6 C7 . . 118.18(17) ?
    C5 C6 H6A . . 120.9 ?
    C7 C6 H6A . . 120.9 ?
    C6 C7 C2 . . 120.47(16) ?
    C6 C7 C8 . . 132.45(17) ?
    C2 C7 C8 . . 106.99(15) ?
    N2 C8 N1 . . 122.25(16) ?
    N2 C8 C7 . . 130.40(16) ?
    N1 C8 C7 . . 105.73(14) ?
    N2 C9 N3 . . 122.80(16) ?
    N2 C9 C10 . . 129.53(17) ?
    N3 C9 C10 . . 106.11(15) ?
    C11 C10 C15 . . 120.32(17) ?
    C11 C10 C9 . . 132.33(17) ?
    C15 C10 C9 . . 107.16(15) ?
    C12 C11 C10 . . 117.79(18) ?
    C12 C11 H11A . . 121.1 ?
    C10 C11 H11A . . 121.1 ?
    C11 C12 C13 . . 121.91(18) ?
    C11 C12 H12A . . 119.0 ?
    C13 C12 H12A . . 119.0 ?
    C14 C13 C12 . . 121.35(18) ?
    C14 C13 H13A . . 119.3 ?
    C12 C13 H13A . . 119.3 ?
    C13 C14 C15 . . 117.54(17) ?
    C13 C14 H14A . . 121.2 ?
    C15 C14 H14A . . 121.2 ?
    C14 C15 C10 . . 121.07(17) ?
    C14 C15 C16 . . 131.53(17) ?
    C10 C15 C16 . . 107.15(15) ?
    N4 C16 N3 . . 123.03(16) ?
    N4 C16 C15 . . 129.40(16) ?
    N3 C16 C15 . . 105.50(15) ?
    N4 C17 N5 . . 122.97(16) ?
    N4 C17 C18 . . 129.05(16) ?
    N5 C17 C18 . . 106.13(15) ?
    C19 C18 C23 . . 120.77(16) ?
    C19 C18 C17 . . 131.87(16) ?
    C23 C18 C17 . . 107.18(15) ?
    C20 C19 C18 . . 118.05(17) ?
    C20 C19 H19A . . 121.0 ?
    C18 C19 H19A . . 121.0 ?
    C19 C20 C21 . . 121.60(19) ?
    C19 C20 H20A . . 119.2 ?
    C21 C20 H20A . . 119.2 ?
    C22 C21 C20 . . 121.01(18) ?
    C22 C21 H21A . . 119.5 ?
    C20 C21 H21A . . 119.5 ?
    C21 C22 C23 . . 118.17(18) ?
    C21 C22 H22A . . 120.9 ?
    C23 C22 H22A . . 120.9 ?
    C22 C23 C18 . . 120.29(17) ?
    C22 C23 C24 . . 132.28(17) ?
    C18 C23 C24 . . 107.23(15) ?
    N6 C24 N5 . . 123.04(16) ?
    N6 C24 C23 . . 129.39(16) ?
    N5 C24 C23 . . 105.86(15) ?
    O1 C25 C26 . . 122.87(16) ?
    O1 C25 C30 . . 116.98(16) ?
    C26 C25 C30 . . 120.12(16) ?
    C27 C26 C25 . . 120.16(17) ?
    C27 C26 H26A . . 119.9 ?
    C25 C26 H26A . . 119.9 ?
    C28 C27 C26 . . 118.85(17) ?
    C28 C27 H27A . . 120.6 ?
    C26 C27 H27A . . 120.6 ?
    C29 C28 C27 . . 121.77(17) ?
    C29 C28 N7 . . 118.99(16) ?
    C27 C28 N7 . . 119.24(16) ?
    C28 C29 C30 . . 119.24(17) ?
    C28 C29 H29A . . 120.4 ?
    C30 C29 H29A . . 120.4 ?
    C29 C30 C25 . . 119.78(17) ?
    C29 C30 H30A . . 120.1 ?
    C25 C30 H30A . . 120.1 ?
    O1 B1 N1 . . 108.11(15) ?
    O1 B1 N3 . . 115.48(15) ?
    N1 B1 N3 . . 104.11(14) ?
    O1 B1 N5 . . 119.21(15) ?
    N1 B1 N5 . . 104.25(14) ?
    N3 B1 N5 . . 104.16(14) ?
