Facile synthesis and characterization of aza-bridged all-benzenoid quinoidal figure-eight and cage molecules.
Dong, Shaoqiang; Han, Yi; Tong, Zekun; Wang, Jinfeng; Zhang, Yishan; Li, Aisen; Gopalakrishna, Tullimilli Y.; Tian, Hongkun; Chi, Chunyan; Chemical science 15 (2024) 9087–9095; doi:10.1039/d3sc02707d

data_1571762
_publ_section_title
;
 Facile synthesis and characterization of aza-bridged all-benzenoid
 quinoidal figure-eight and cage molecules.
;
_journal_issue                   24
_journal_name_full               'Chemical science'
_journal_page_first              9087
_journal_page_last               9095
_journal_paper_doi               10.1039/d3sc02707d
_journal_volume                  15
_journal_year                    2024
_chemical_formula_moiety         'C161 H140 N4,4(F6 P),4(C H Cl3)'
_chemical_formula_sum            'C165 H144 Cl12 F24 N4 P4'
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_space_group_crystal_system      triclinic
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_space_group_name_Hall           '-P 1'
_space_group_name_H-M_alt        'P -1'
_atom_sites_solution_hydrogens   mixed
_atom_sites_solution_primary     direct
_audit_creation_method           SHELXL-2014/7
_audit_update_record
;
2024-04-24 deposited with the CCDC.	2024-04-29 downloaded from the CCDC.
;
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_diffrn_ambient_temperature      100(2)
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_diffrn_measurement_device_type  'Bruker APEXII CCD'
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_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[\s^2^(Fo^2^)+(0.1000P)^2^] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
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_reflns_number_gt                18564
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_reflns_threshold_expression     'I > 2\s(I)'
_cod_data_source_file            d3sc02707d2.cif
_cod_data_source_block           dsq01_sq
_cod_depositor_comments
'Adding full bibliography for 1571762--1571763.cif.'
_cod_original_cell_volume        11047.5(17)
_cod_database_code               1571762
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