Synthesis of a twisted azananographene featuring a diquinoxaline-fused pyrene.
Zhang, Zhiyu; Xu, Zhenxun; Zhang, Aihui; Bai, Fenghua; Hashikawa, Yoshifumi; Chaolumen, ?; Chemical communications (Cambridge, England) 61 (2025) 11401–11404; doi:10.1039/d5cc02120k

data_7134758
_publ_section_title
;
 Synthesis of a twisted azananographene featuring a diquinoxaline-fused
 pyrene.
;
_journal_issue                   61
_journal_name_full               'Chemical communications (Cambridge, England)'
_journal_page_first              11401
_journal_page_last               11404
_journal_paper_doi               10.1039/d5cc02120k
_journal_volume                  61
_journal_year                    2025
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_audit_creation_method           SHELXL-2018/3
_audit_update_record
;
2025-06-20 deposited with the CCDC.	2025-06-24 downloaded from the CCDC.
;
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'CrysAlisPro system (CCD 43.121a 64-bit (release 24-04-2024))'
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_computing_structure_solution    'SHELXT 2018/2 (Sheldrick, 2018)'
_diffrn_ambient_temperature      100(2)
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_diffrn_measurement_method       '\w scans'
_diffrn_radiation_type           CuK\a
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_diffrn_reflns_av_unetI/netI     0.0308
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_exptl_absorpt_process_details
;
CrysAlisPro 1.171.43.121a (Rigaku Oxford Diffraction, 2024)
Empirical absorption correction using spherical harmonics,
implemented in SCALE3 ABSPACK scaling algorithm.
;
_exptl_crystal_colour            'light yellow'
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_exptl_crystal_description       block
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_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[\s^2^(Fo^2^)+(0.1098P)^2^+1.1408P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1772
_refine_ls_wR_factor_ref         0.1919
_reflns_Friedel_coverage         0.000
_reflns_number_gt                6393
_reflns_number_total             8178
_reflns_threshold_expression     'I > 2\s(I)'
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_cod_data_source_block           SHCSH_1
_cod_depositor_comments          'Adding full bibliography for 7134758.cif.'
_cod_original_formula_sum        'C50.20 H52.96 Cl3.06 N2'
_cod_database_code               7134758
_shelx_shelxl_version_number     2018/3
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