Copper-catalysed perarylation of cyclopentadiene: synthesis of hexaarylcyclopentadienes.
Gisbert, Yohan; Simón Marqués, Pablo; Baccini, Caterina; Abid, Seifallah; Saffon-Merceron, Nathalie; Rapenne, Gwénaël; Kammerer, Claire; Chemical science 15 (2024) 9127–9137; doi:10.1039/d4sc02458c

data_1571643
_publ_section_title
;
 Copper-catalysed perarylation of cyclopentadiene: synthesis of
 hexaarylcyclopentadienes.
;
_journal_issue                   24
_journal_name_full               'Chemical science'
_journal_page_first              9127
_journal_page_last               9137
_journal_paper_doi               10.1039/d4sc02458c
_journal_volume                  15
_journal_year                    2024
_chemical_formula_sum            'C47 H42'
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_space_group_name_Hall           '-P 1'
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_atom_sites_solution_primary     'dual space'
_audit_creation_method           SHELXL-2018/3
_audit_update_record
;
2024-05-13 deposited with the CCDC.	2024-05-15 downloaded from the CCDC.
;
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_cell_volume                     3580.5(3)
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_diffrn_measured_fraction_theta_max 0.992
_diffrn_measurement_device_type  'Bruker D8-Venture CMOs detector'
_diffrn_measurement_method       'phi and omega scans'
_diffrn_radiation_type           CuK\a
_diffrn_radiation_wavelength     1.54178
_diffrn_reflns_av_R_equivalents  0.0512
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_diffrn_reflns_limit_h_max       16
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_diffrn_reflns_number            71428
_diffrn_reflns_point_group_measured_fraction_full 0.998
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_diffrn_source                   'Incoatec microfocus sealed tube'
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_exptl_absorpt_correction_type   multi-scan
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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^)+(0.0924P)^2^+0.7248P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
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_reflns_number_gt                10406
_reflns_number_total             14176
_reflns_threshold_expression     'I > 2\s(I)'
_cod_data_source_file            d4sc02458c2.cif
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_cod_depositor_comments
'Adding full bibliography for 1571637--1571645.cif.'
_cod_database_code               1571643
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_shelx_estimated_absorpt_t_min   0.895
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_exptl_absorpt_special_details
;
SADABS-2016/2 - Krause, L., Herbst-Irmer, R., Sheldrick G.M.
& Stalke D., J. Appl. Cryst. 48 (2015) 3-10
;
_shelx_res_checksum              91172