Extremely stable system of 1-haloselanyl-anthraquinones: experimental and theoretical investigations.
Ogawa, Naoki; Suzuki, Nobuhiro; Katsura, Yoshifumi; Minoura, Mao; Nakanishi, Waro; Hayashi, Satoko; Dalton transactions (Cambridge, England : 2003) 53 (2024) 10099–10112; doi:10.1039/d4dt00760c

data_7716188
_publ_section_title
;
 Extremely stable system of 1-haloselanyl-anthraquinones: experimental and
 theoretical investigations.
;
_journal_issue                   24
_journal_name_full
'Dalton transactions (Cambridge, England : 2003)'
_journal_page_first              10099
_journal_page_last               10112
_journal_paper_doi               10.1039/d4dt00760c
_journal_volume                  53
_journal_year                    2024
_chemical_formula_sum            'C14 H7 Br O2 Se'
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_audit_update_record
;
2024-05-09 deposited with the CCDC.	2024-05-14 downloaded from the CCDC.
;
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_computing_structure_refinement  'SHELXL-2014/7 (Sheldrick, 2014)'
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_diffrn_measured_fraction_theta_max 0.910
_diffrn_radiation_type           MoK\a
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_diffrn_reflns_av_R_equivalents  0.0280
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_refine_ls_matrix_type           full
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_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000
_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'
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_reflns_threshold_expression     'I > 2\s(I)'
_cod_data_source_file            d4dt00760c2.cif
_cod_data_source_block           2_1-AnqSeBr
_cod_depositor_comments
'Adding full bibliography for 7716186--7716189.cif.'
_cod_database_code               7716188
_shelx_shelxl_version_number     2014/7
_shelx_estimated_absorpt_t_min   0.553
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