#------------------------------------------------------------------------------
#$Date: 2020-10-06 14:56:11 +0300 (Tue, 06 Oct 2020) $
#$Revision: 258156 $
#$URL: file:///home/coder/svn-repositories/cod/cif/1/55/76/1557671.cif $
#------------------------------------------------------------------------------
#
# This file is available in the Crystallography Open Database (COD),
# http://www.crystallography.net/
#
# All data on this site have been placed in the public domain by the
# contributors.
#
data_1557671
loop_
_publ_author_name
'Wang, Haoran'
'Xing, Hao'
'Gong, Junyi'
'Zhang, Haoke'
'Zhang, Jun'
'Wei, Peifa'
'Yang, Guojian'
'Lam, Jacky W. Y.'
'Lu, Ran'
'Tang, Ben Zhong'
_publ_section_title
;
 “Living” luminogens: light driven ACQ-to-AIE transformation
 accompanied with solid-state actuation
;
_journal_issue                   6
_journal_name_full               'Materials Horizons'
_journal_page_first              1566
_journal_page_last               1572
_journal_paper_doi               10.1039/D0MH00447B
_journal_volume                  7
_journal_year                    2020
_chemical_formula_moiety         'C30 H18 F4 N2 O2'
_chemical_formula_sum            'C30 H18 F4 N2 O2'
_chemical_formula_weight         514.46
_space_group_crystal_system      triclinic
_space_group_IT_number           2
_space_group_name_Hall           '-P 1'
_space_group_name_H-M_alt        'P -1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     dual
_audit_creation_date             2019-01-22
_audit_creation_method
;
Olex2 1.2-beta
(compiled 2018.05.29 svn.r3508 for OlexSys, GUI svn.r5506)
;
_audit_update_record
;
2019-07-22 deposited with the CCDC.	2020-03-26 downloaded from the CCDC.
;
_cell_angle_alpha                107.066(4)
_cell_angle_beta                 107.962(4)
_cell_angle_gamma                106.939(4)
_cell_formula_units_Z            2
_cell_length_a                   9.1590(3)
_cell_length_b                   12.2660(5)
_cell_length_c                   12.8671(6)
_cell_measurement_reflns_used    4099
_cell_measurement_temperature    149.99(10)
_cell_measurement_theta_max      73.1380
_cell_measurement_theta_min      4.0080
_cell_volume                     1193.03(11)
_computing_cell_refinement       'CrysAlisPro 1.171.39.44a (Rigaku OD, 2018)'
_computing_data_collection       'CrysAlisPro 1.171.39.44a (Rigaku OD, 2018)'
_computing_data_reduction        'CrysAlisPro 1.171.39.44a (Rigaku OD, 2018)'
_computing_molecular_graphics    'Olex2 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 (Dolomanov et al., 2009)'
_computing_structure_refinement  'ShelXL (Sheldrick, 2015)'
_computing_structure_solution    'ShelXT (Sheldrick, 2015)'
_diffrn_ambient_environment      N~2~
_diffrn_ambient_temperature      149.99(10)
_diffrn_detector                 'CCD plate'
_diffrn_measured_fraction_theta_full 0.981
_diffrn_measured_fraction_theta_max 0.941
_diffrn_measurement_details
;
List of Runs (angles in degrees, time in seconds):

  # Type    Start    End  Width  tₑₓₚ   ω     θ     κ     φ   Frames
#--------------------------------------------------------------------------
  1  ω    -89.00 -53.00   0.50    0.50    --    0.00 -72.00 -60.00   72
  2  ω    -35.00   7.00   0.50    0.50    --    0.00 -72.00 -60.00   84
  3  ω      0.00  80.00   0.50    0.50    --    0.00  19.00 -90.00  160
  4  ω     38.00  93.00   0.50    1.28    --    5.00  72.00 -30.00  110
  5  ω     61.00  88.00   0.50    1.28    --    5.00  38.00 150.00   54
  6  ω     -8.00  29.00   0.50    1.28    --    5.00  72.00 -30.00   74
  7  ω     -6.00  23.00   0.50    1.28    --    5.00  38.00 150.00   58
  8  ω   -105.00 -10.00   0.50    1.28    --  -98.80  19.00  60.00  190
  9  ω   -112.00 -25.00   0.50    1.28    --  -98.80  72.00 -30.00  174
 10  ω   -104.00 -17.00   0.50    1.28    --  -98.80  72.00  60.00  174
 11  ω    -58.00 -31.00   0.50    1.28    --  -98.80  72.00 120.00   54
 12  ω   -105.00 -30.00   0.50    1.28    --  -98.80  57.00 -60.00  150
 13  ω   -111.00 -78.00   0.50    1.28    --  -98.80  72.00 120.00   66
 14  ω   -112.00  -9.00   0.50    1.28    --  -98.80  57.00-180.00  206
 15  ω   -106.00 -10.00   0.50    1.28    --  -98.80  19.00 -30.00  192
 16  ω   -117.00 -85.00   0.50    1.28    --  -98.80 -72.00  90.00   64
 17  ω   -170.00-145.00   0.50    1.28    --  -98.80 -72.00  90.00   50
 18  ω   -108.00 -34.00   0.50    1.28    --  -98.80  72.00-180.00  148
 19  ω    -90.00 -34.00   0.50    1.28    --  -98.80  72.00   0.00  112
 20  ω   -102.00 -49.00   0.50    1.28    --  -98.80  72.00-120.00  106
 21  ω   -146.00 -12.00   0.50    1.28    --  -98.80   0.00  90.00  268
 22  ω   -185.00-160.00   0.50    1.28    --  -98.80 -72.00 -90.00   50
 23  ω    -93.00 -66.00   0.50    1.28    --  -98.80  72.00-150.00   54
 24  ω   -187.00-161.00   0.50    1.28    --  -98.80   0.00  90.00   52
;
_diffrn_measurement_device       'four-circle diffractometer'
_diffrn_measurement_device_type  'XtaLAB AFC12 (RCD3): Kappa single'
_diffrn_measurement_method       'ω scans'
_diffrn_orient_matrix_type
'CrysAlisPro convention (1999,Acta A55,543-557)'
_diffrn_orient_matrix_UB_11      -0.0459115000
_diffrn_orient_matrix_UB_12      -0.0434321000
_diffrn_orient_matrix_UB_13      -0.1355215000
_diffrn_orient_matrix_UB_21      0.0392570000
_diffrn_orient_matrix_UB_22      0.1359266000
_diffrn_orient_matrix_UB_23      0.0142463000
_diffrn_orient_matrix_UB_31      0.1852278000
_diffrn_orient_matrix_UB_32      0.0243641000
_diffrn_orient_matrix_UB_33      0.0262603000
_diffrn_radiation_monochromator  mirror
_diffrn_radiation_probe          x-ray
_diffrn_radiation_type           CuK\a
_diffrn_radiation_wavelength     1.54184
_diffrn_reflns_av_R_equivalents  0.0281
_diffrn_reflns_av_unetI/netI     0.0380
_diffrn_reflns_Laue_measured_fraction_full 0.981
_diffrn_reflns_Laue_measured_fraction_max 0.941
_diffrn_reflns_limit_h_max       10
_diffrn_reflns_limit_h_min       -7
_diffrn_reflns_limit_k_max       14
_diffrn_reflns_limit_k_min       -15
_diffrn_reflns_limit_l_max       15
_diffrn_reflns_limit_l_min       -15
_diffrn_reflns_number            10672
_diffrn_reflns_point_group_measured_fraction_full 0.981
_diffrn_reflns_point_group_measured_fraction_max 0.941
_diffrn_reflns_theta_full        67.684
_diffrn_reflns_theta_max         73.781
_diffrn_reflns_theta_min         3.982
_diffrn_source                   'Rotating-anode X-ray tube (dual wavelength)'
_diffrn_source_type              'Rigaku (Cu) X-ray DW Source'
_exptl_absorpt_coefficient_mu    0.948
_exptl_absorpt_correction_T_max  1.00000
_exptl_absorpt_correction_T_min  0.80186
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details
;
CrysAlisPro 1.171.39.44a (Rigaku Oxford Diffraction, 2018)
Empirical absorption correction using spherical harmonics,
 implemented in SCALE3 ABSPACK scaling algorithm.
;
_exptl_crystal_colour            colourless
_exptl_crystal_density_diffrn    1.432
_exptl_crystal_description       block
_exptl_crystal_F_000             528
_refine_diff_density_max         0.224
_refine_diff_density_min         -0.226
_refine_diff_density_rms         0.040
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.055
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     353
_refine_ls_number_reflns         4551
_refine_ls_number_restraints     6
_refine_ls_restrained_S_all      1.055
_refine_ls_R_factor_all          0.0577
_refine_ls_R_factor_gt           0.0452
_refine_ls_shift/su_max          0.000
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[σ²(Fo²)+(0.0584P)²+0.4090P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1199
_refine_ls_wR_factor_ref         0.1276
_reflns_Friedel_coverage         0.000
_reflns_number_gt                3608
_reflns_number_total             4551
_reflns_threshold_expression     'I > 2σ(I)'
_cod_data_source_file            d0mh00447b9.cif
_cod_data_source_block           dboaf24yellow
_cod_depositor_comments
;Adding full bibliography for 1557668--1557673.cif.

 Adding full bibliography for 1557668--1557673.cif.
;
_cod_original_cell_volume        1193.03(9)
_cod_database_code               1557671
_shelx_shelxl_version_number     2018/3
_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.
;
_reflns_odcompleteness_completeness 98.15
_reflns_odcompleteness_iscentric 1
_reflns_odcompleteness_theta     66.97
_olex2_refinement_description
;
1. Fixed Uiso
 At 1.2 times of:
  All C(H) groups
2. Uiso/Uaniso restraints and constraints
N2 \\sim C24: within 2A with sigma of 0.005 and sigma for terminal atoms of 0.01
3. Others
 Sof(F1)=Sof(H13)=1-FVAR(1)
 Sof(F1A)=Sof(H17)=FVAR(1)
4.a Ternary CH refined with riding coordinates:
 C8(H8), C9(H9), C10(H10), C11(H11)
4.b Aromatic/amide H refined with riding coordinates:
 C2(H2), C3(H3), C4(H4), C5(H5), C13(H13), C14(H14), C16(H16), C17(H17),
 C19(H19), C20(H20), C22(H22), C26(H26), C27(H27), C28(H28), C29(H29)
;
_olex2_submission_special_instructions 'No special instructions were received'
_oxdiff_exptl_absorpt_empirical_details
;
Empirical correction (ABSPACK) includes:
- Absorption correction using spherical harmonics
- Frame scaling
;
_oxdiff_exptl_absorpt_empirical_full_max 1.525
_oxdiff_exptl_absorpt_empirical_full_min 0.730
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x, -y, -z'
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
_atom_site_site_symmetry_order
_atom_site_calc_flag
_atom_site_refinement_flags_posn
_atom_site_refinement_flags_adp
_atom_site_refinement_flags_occupancy
_atom_site_disorder_assembly
_atom_site_disorder_group
F1 F 0.8651(4) 0.4652(3) 0.9835(3) 0.0764(13) Uani 0.452(4) 1 d . . P A 2
F1A F 0.4575(3) 0.06184(18) 0.73825(18) 0.0435(7) Uani 0.548(4) 1 d . . P A 1
F2 F 0.6932(3) 0.1951(2) 1.14847(16) 0.1105(7) Uani 1 1 d . . . . .
F3 F -0.00584(16) 0.22810(13) 0.84899(12) 0.0580(4) Uani 1 1 d . . . . .
F4 F 0.49933(15) 0.46538(10) 0.85190(11) 0.0503(3) Uani 1 1 d . . . . .
O1 O 0.76668(16) 0.16582(12) 0.49014(12) 0.0412(3) Uani 1 1 d . . . . .
O2 O 0.47995(17) 0.27368(12) 0.42347(12) 0.0425(3) Uani 1 1 d . . . . .
N1 N 0.89726(19) 0.35966(14) 0.64088(14) 0.0363(3) Uani 1 1 d . . . . .
N2 N 0.31197(18) 0.06715(13) 0.33438(13) 0.0335(3) Uani 1 1 d . U . . .
C1 C 0.8985(2) 0.23455(18) 0.47274(17) 0.0375(4) Uani 1 1 d . . . . .
C2 C 0.9471(3) 0.1974(2) 0.38137(19) 0.0460(5) Uani 1 1 d . . . . .
H2 H 0.889808 0.116873 0.319305 0.055 Uiso 1 1 calc R . . . .
C3 C 1.0865(3) 0.2879(2) 0.3884(2) 0.0499(5) Uani 1 1 d . . . . .
H3 H 1.124378 0.267893 0.329196 0.060 Uiso 1 1 calc R . . . .
C4 C 1.1718(3) 0.4084(2) 0.4821(2) 0.0500(5) Uani 1 1 d . . . . .
H4 H 1.265762 0.466298 0.484115 0.060 Uiso 1 1 calc R . . . .
C5 C 1.1201(3) 0.4441(2) 0.5723(2) 0.0459(5) Uani 1 1 d . . . . .
H5 H 1.176531 0.524618 0.634283 0.055 Uiso 1 1 calc R . . . .
C6 C 0.9806(2) 0.35407(18) 0.56572(17) 0.0375(4) Uani 1 1 d . . . . .
C7 C 0.7765(2) 0.24891(18) 0.59269(17) 0.0380(4) Uani 1 1 d . . . . .
C8 C 0.6507(2) 0.19855(17) 0.63517(16) 0.0349(4) Uani 1 1 d . . . . .
H8 H 0.660000 0.127200 0.651722 0.042 Uiso 1 1 calc R . . . .
C9 C 0.6508(2) 0.29726(17) 0.74341(17) 0.0357(4) Uani 1 1 d . . . . .
H9 H 0.737171 0.381061 0.768490 0.043 Uiso 1 1 calc R . . . .
C10 C 0.4726(2) 0.27931(16) 0.65737(16) 0.0335(4) Uani 1 1 d . . . . .
H10 H 0.485848 0.350115 0.634875 0.040 Uiso 1 1 calc R . . . .
C11 C 0.4620(2) 0.16701(16) 0.55616(16) 0.0338(4) Uani 1 1 d . . . . .
H11 H 0.386740 0.087926 0.550600 0.041 Uiso 1 1 calc R . . . .
C12 C 0.6621(2) 0.26738(19) 0.84972(17) 0.0393(4) Uani 1 1 d . . . . .
C13 C 0.5638(3) 0.1524(2) 0.84103(19) 0.0455(5) Uani 1 1 d . . . . .
H13 H 0.488841 0.089232 0.764627 0.055 Uiso 0.452(4) 1 calc R . P A 2
C14 C 0.5707(3) 0.1262(3) 0.9390(2) 0.0622(7) Uani 1 1 d . . . . .
H14 H 0.501350 0.048118 0.929548 0.075 Uiso 1 1 calc R . . . .
C15 C 0.6832(4) 0.2193(4) 1.0508(2) 0.0731(8) Uani 1 1 d . . . . .
C16 C 0.7859(3) 0.3344(3) 1.0677(2) 0.0702(8) Uani 1 1 d . . . . .
H16 H 0.862478 0.396028 1.144518 0.084 Uiso 1 1 calc R . . . .
C17 C 0.7724(3) 0.3569(2) 0.9661(2) 0.0537(6) Uani 1 1 d . . . . .
H17 H 0.840593 0.435860 0.976627 0.064 Uiso 0.548(4) 1 calc R . P A 1
C18 C 0.3355(2) 0.25977(16) 0.70055(16) 0.0326(4) Uani 1 1 d . . . . .
C19 C 0.1894(2) 0.15087(18) 0.65019(17) 0.0384(4) Uani 1 1 d . . . . .
H19 H 0.168366 0.084106 0.581630 0.046 Uiso 1 1 calc R . . . .
C20 C 0.0731(2) 0.13840(19) 0.69925(18) 0.0433(5) Uani 1 1 d . . . . .
H20 H -0.024299 0.064344 0.664795 0.052 Uiso 1 1 calc R . . . .
C21 C 0.1059(2) 0.2385(2) 0.80001(18) 0.0419(4) Uani 1 1 d . . . . .
C22 C 0.2478(3) 0.34971(19) 0.85347(18) 0.0421(4) Uani 1 1 d . . . . .
H22 H 0.268151 0.416776 0.921482 0.051 Uiso 1 1 calc R . . . .
C23 C 0.3577(2) 0.35638(16) 0.80107(17) 0.0360(4) Uani 1 1 d . . . . .
C24 C 0.4147(2) 0.16650(17) 0.43542(17) 0.0364(4) Uani 1 1 d . U . . .
C25 C 0.4093(2) 0.23759(17) 0.29955(17) 0.0361(4) Uani 1 1 d . . . . .
C26 C 0.4282(3) 0.3096(2) 0.23595(19) 0.0470(5) Uani 1 1 d . . . . .
H26 H 0.496540 0.395452 0.274056 0.056 Uiso 1 1 calc R . . . .
C27 C 0.3393(3) 0.2461(2) 0.1119(2) 0.0514(5) Uani 1 1 d . . . . .
H27 H 0.348576 0.290524 0.064978 0.062 Uiso 1 1 calc R . . . .
C28 C 0.2363(3) 0.1176(2) 0.05531(19) 0.0505(5) Uani 1 1 d . . . . .
H28 H 0.179247 0.078291 -0.028304 0.061 Uiso 1 1 calc R . . . .
C29 C 0.2167(3) 0.04680(19) 0.12062(18) 0.0442(5) Uani 1 1 d . . . . .
H29 H 0.147255 -0.038862 0.083025 0.053 Uiso 1 1 calc R . . . .
C30 C 0.3056(2) 0.11009(17) 0.24444(16) 0.0354(4) Uani 1 1 d . . . . .
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'
F F 0.0727 0.0534 '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'
loop_
_geom_angle_atom_site_label_1
_geom_angle_atom_site_label_2
_geom_angle_atom_site_label_3
_geom_angle
_geom_angle_site_symmetry_1
_geom_angle_site_symmetry_3
_geom_angle_publ_flag
C7 O1 C1 103.88(15) . . ?
C24 O2 C25 104.14(14) . . ?
C7 N1 C6 104.52(16) . . ?
C24 N2 C30 104.89(15) . . ?
O1 C1 C2 128.82(18) . . ?
O1 C1 C6 107.71(16) . . ?
C2 C1 C6 123.47(18) . . ?
C1 C2 H2 122.2 . . ?
C1 C2 C3 115.6(2) . . ?
C3 C2 H2 122.2 . . ?
C2 C3 H3 119.1 . . ?
C2 C3 C4 121.79(19) . . ?
C4 C3 H3 119.1 . . ?
C3 C4 H4 119.1 . . ?
C5 C4 C3 121.70(19) . . ?
C5 C4 H4 119.1 . . ?
C4 C5 H5 121.6 . . ?
C6 C5 C4 116.8(2) . . ?
C6 C5 H5 121.6 . . ?
C1 C6 N1 108.36(16) . . ?
C5 C6 N1 130.99(18) . . ?
C5 C6 C1 120.65(18) . . ?
O1 C7 C8 115.69(16) . . ?
N1 C7 O1 115.52(16) . . ?
N1 C7 C8 128.76(17) . . ?
C7 C8 H8 111.1 . . ?
C7 C8 C9 115.06(15) . . ?
C7 C8 C11 116.70(15) . . ?
C9 C8 H8 111.1 . . ?
C9 C8 C11 90.35(13) . . ?
C11 C8 H8 111.1 . . ?
C8 C9 H9 110.8 . . ?
C8 C9 C10 88.83(13) . . ?
C10 C9 H9 110.8 . . ?
C12 C9 C8 116.64(15) . . ?
C12 C9 H9 110.8 . . ?
C12 C9 C10 117.21(14) . . ?
C9 C10 H10 109.4 . . ?
C11 C10 C9 90.51(13) . . ?
C11 C10 H10 109.4 . . ?
C18 C10 C9 117.68(15) . . ?
C18 C10 H10 109.4 . . ?
C18 C10 C11 119.15(15) . . ?
C8 C11 H11 109.8 . . ?
C10 C11 C8 89.13(13) . . ?
C10 C11 H11 109.8 . . ?
C24 C11 C8 119.37(15) . . ?
C24 C11 C10 117.33(15) . . ?
C24 C11 H11 109.8 . . ?
C13 C12 C9 123.81(18) . . ?
C13 C12 C17 115.1(2) . . ?
C17 C12 C9 121.03(19) . . ?
F1A C13 C12 121.03(19) . . ?
F1A C13 C14 115.2(2) . . ?
C12 C13 H13 118.1 . . ?
C14 C13 C12 123.8(2) . . ?
C14 C13 H13 118.1 . . ?
C13 C14 H14 121.2 . . ?
C15 C14 C13 117.6(3) . . ?
C15 C14 H14 121.2 . . ?
F2 C15 C14 118.5(3) . . ?
F2 C15 C16 118.8(3) . . ?
C16 C15 C14 122.6(2) . . ?
C15 C16 H16 121.2 . . ?
C15 C16 C17 117.6(2) . . ?
C17 C16 H16 121.2 . . ?
F1 C17 C12 119.9(3) . . ?
F1 C17 C16 116.8(3) . . ?
C12 C17 C16 123.3(3) . . ?
C12 C17 H17 118.4 . . ?
C16 C17 H17 118.4 . . ?
C19 C18 C10 125.43(16) . . ?
C19 C18 C23 116.22(16) . . ?
C23 C18 C10 118.32(16) . . ?
C18 C19 H19 119.1 . . ?
C18 C19 C20 121.79(18) . . ?
C20 C19 H19 119.1 . . ?
C19 C20 H20 120.9 . . ?
C21 C20 C19 118.22(18) . . ?
C21 C20 H20 120.9 . . ?
F3 C21 C20 119.06(18) . . ?
F3 C21 C22 118.17(18) . . ?
C20 C21 C22 122.77(18) . . ?
C21 C22 H22 121.8 . . ?
C23 C22 C21 116.34(18) . . ?
C23 C22 H22 121.8 . . ?
F4 C23 C18 117.64(16) . . ?
F4 C23 C22 117.70(17) . . ?
C22 C23 C18 124.66(18) . . ?
O2 C24 C11 120.20(16) . . ?
N2 C24 O2 115.13(16) . . ?
N2 C24 C11 124.66(16) . . ?
C26 C25 O2 129.41(17) . . ?
C26 C25 C30 122.83(18) . . ?
C30 C25 O2 107.74(15) . . ?
C25 C26 H26 122.1 . . ?
C25 C26 C27 115.89(19) . . ?
C27 C26 H26 122.1 . . ?
C26 C27 H27 119.1 . . ?
C26 C27 C28 121.8(2) . . ?
C28 C27 H27 119.1 . . ?
C27 C28 H28 119.2 . . ?
C29 C28 C27 121.6(2) . . ?
C29 C28 H28 119.2 . . ?
C28 C29 H29 121.7 . . ?
C30 C29 C28 116.56(19) . . ?
C30 C29 H29 121.7 . . ?
C25 C30 N2 108.10(16) . . ?
C29 C30 N2 130.61(17) . . ?
C29 C30 C25 121.28(18) . . ?
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
_geom_bond_publ_flag
F1 C17 1.260(4) . ?
F1A C13 1.282(3) . ?
F2 C15 1.356(3) . ?
F3 C21 1.352(2) . ?
F4 C23 1.360(2) . ?
O1 C1 1.380(2) . ?
O1 C7 1.368(2) . ?
O2 C24 1.352(2) . ?
O2 C25 1.393(2) . ?
N1 C6 1.403(2) . ?
N1 C7 1.288(2) . ?
N2 C24 1.307(2) . ?
N2 C30 1.398(2) . ?
C1 C2 1.383(3) . ?
C1 C6 1.385(3) . ?
C2 H2 0.9300 . ?
C2 C3 1.383(3) . ?
C3 H3 0.9300 . ?
C3 C4 1.396(3) . ?
C4 H4 0.9300 . ?
C4 C5 1.387(3) . ?
C5 H5 0.9300 . ?
C5 C6 1.384(3) . ?
C7 C8 1.477(3) . ?
C8 H8 0.9800 . ?
C8 C9 1.554(2) . ?
C8 C11 1.570(3) . ?
C9 H9 0.9800 . ?
C9 C10 1.572(3) . ?
C9 C12 1.498(3) . ?
C10 H10 0.9800 . ?
C10 C11 1.547(2) . ?
C10 C18 1.508(2) . ?
C11 H11 0.9800 . ?
C11 C24 1.476(3) . ?
C12 C13 1.385(3) . ?
C12 C17 1.387(3) . ?
C13 H13 0.9300 . ?
C13 C14 1.378(3) . ?
C14 H14 0.9300 . ?
C14 C15 1.367(4) . ?
C15 C16 1.359(4) . ?
C16 H16 0.9300 . ?
C16 C17 1.390(3) . ?
C17 H17 0.9300 . ?
C18 C19 1.382(3) . ?
C18 C23 1.384(2) . ?
C19 H19 0.9300 . ?
C19 C20 1.391(3) . ?
C20 H20 0.9300 . ?
C20 C21 1.374(3) . ?
C21 C22 1.374(3) . ?
C22 H22 0.9300 . ?
C22 C23 1.370(3) . ?
C25 C26 1.379(3) . ?
C25 C30 1.385(3) . ?
C26 H26 0.9300 . ?
C26 C27 1.385(3) . ?
C27 H27 0.9300 . ?
C27 C28 1.394(3) . ?
C28 H28 0.9300 . ?
C28 C29 1.387(3) . ?
C29 H29 0.9300 . ?
C29 C30 1.382(3) . ?
