Push-pull isomers of indolizino[6,5,4,3-def]phenanthridine decorated with a triarylboron moiety.
Dong, Lei; Saraci, Felix; Yuan, Kang; Wang, Xiang; Wang, Suning; Organic & biomolecular chemistry 17 (2019) 6470–6477; doi:10.1039/c9ob00923j

data_7156907
_publ_section_title
;
 Push-pull isomers of indolizino[6,5,4,3-def]phenanthridine decorated with
 a triarylboron moiety.
;
_journal_issue                   26
_journal_name_full               'Organic &amp; biomolecular chemistry'
_journal_page_first              6470
_journal_page_last               6477
_journal_paper_doi               10.1039/c9ob00923j
_journal_volume                  17
_journal_year                    2019
_chemical_formula_sum            'C49 H36 B Cl3 F5 N'
_chemical_formula_weight         850.95
_space_group_crystal_system      monoclinic
_space_group_IT_number           14
_space_group_name_Hall           '-P 2ybc'
_space_group_name_H-M_alt        'P 1 21/c 1'
_symmetry_space_group_name_Hall  '-P 2ybc'
_symmetry_space_group_name_H-M   'P 1 21/c 1'
_atom_sites_solution_hydrogens   geom
_audit_creation_method           SHELXL-2014/7
_audit_update_record
;
2019-04-19 deposited with the CCDC.    2019-06-11 downloaded from the CCDC.
;
_cell_angle_alpha                90
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_cell_measurement_theta_max      21.34
_cell_measurement_theta_min      2.60
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_computing_cell_refinement       'Bruker SAINT'
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_diffrn_measurement_device_type  'Bruker APEX-II CCD'
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_diffrn_radiation_type           MoK\a
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_diffrn_reflns_av_unetI/netI     0.0674
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_exptl_absorpt_correction_type   multi-scan
_exptl_crystal_colour            Colorless
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_exptl_crystal_description       Needle
_exptl_crystal_F_000             1752
_exptl_crystal_size_max          0.240
_exptl_crystal_size_mid          0.060
_exptl_crystal_size_min          0.060
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_refine_ls_extinction_expression Fc^*^=kFc[1+0.001xFc^2^\l^3^/sin(2\q)]^-1/4^
_refine_ls_extinction_method     'SHELXL-2014/7 (Sheldrick 2014'
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_refine_ls_hydrogen_treatment    constr
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_refine_ls_number_reflns         9101
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.023
_refine_ls_R_factor_all          0.1391
_refine_ls_R_factor_gt           0.0675
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_refine_ls_shift/su_mean         0.001
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[\s^2^(Fo^2^)+(0.0747P)^2^+3.7965P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1587
_refine_ls_wR_factor_ref         0.2030
_reflns_Friedel_coverage         0.000
_reflns_number_gt                4879
_reflns_number_total             9101
_reflns_threshold_expression     'I > 2\s(I)'
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'Adding full bibliography for 7156907--7156908.cif.'
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