Access to the most sterically crowded anilines via non-catalysed C-C coupling reactions.
Vrána, Jan; Samsonov, Maksim A.; Němec, Vlastimil; RůŽička, Aleš; Chemical communications (Cambridge, England) 56 (2020) 2487–2490; doi:10.1039/c9cc09497k

data_7125844
_publ_section_title
;
 Access to the most sterically crowded anilines via non-catalysed C-C
 coupling reactions.
;
_journal_issue                   16
_journal_name_full
'Chemical communications (Cambridge, England)'
_journal_page_first              2487
_journal_page_last               2490
_journal_paper_doi               10.1039/c9cc09497k
_journal_volume                  56
_journal_year                    2020
_chemical_formula_sum            'C45 H37 Cl2 N'
_chemical_formula_weight         662.65
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_space_group_name_Hall           '-P 2yb'
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_audit_creation_method           SHELXL-2017/1
_audit_update_record
;
2019-09-30 deposited with the CCDC.	2020-01-21 downloaded from the CCDC.
;
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_cell_measurement_temperature    150(2)
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_diffrn_measurement_device_type  'Bruker D8 - Venture'
_diffrn_measurement_method       '\f and \w scans to fill the Ewald sphere'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
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_diffrn_reflns_av_unetI/netI     0.0355
_diffrn_reflns_Laue_measured_fraction_full 0.996
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_diffrn_reflns_limit_k_min       -25
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_diffrn_reflns_point_group_measured_fraction_full 0.996
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_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         25.999
_diffrn_reflns_theta_min         2.385
_diffrn_source                   'sealed X-ray tube'
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;
SADABS-2016/2 - Bruker AXS area detector
scaling and absorption correction
;
_exptl_crystal_colour            colorless
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_exptl_crystal_description       stick
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_exptl_crystal_size_min          0.158
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_refine_ls_number_reflns         3424
_refine_ls_number_restraints     28
_refine_ls_restrained_S_all      1.112
_refine_ls_R_factor_all          0.0728
_refine_ls_R_factor_gt           0.0560
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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^)+(0.0588P)^2^+1.8447P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1345
_refine_ls_wR_factor_ref         0.1433
_reflns_Friedel_coverage         0.000
_reflns_number_gt                2765
_reflns_number_total             3424
_reflns_threshold_expression     'I > 2\s(I)'
_cod_data_source_file            c9cc09497k2.cif
_cod_data_source_block           jvr181015N1
_cod_depositor_comments
'Adding full bibliography for 7125838--7125846.cif.'
_cod_original_sg_symbol_H-M      'P 21/m'
_cod_database_code               7125844
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_shelx_estimated_absorpt_t_min   0.919
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_exptl_absorpt_special_details
;
The ratio of minimum to maximum
apparent transmission was 0.942
;
_shelx_res_checksum              6574