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

data_7125838
_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            'C34 H31 N O2'
_chemical_formula_weight         485.60
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_space_group_name_Hall           '-P 1'
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_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-2017/1
_audit_update_record
;
2019-09-30 deposited with the CCDC.	2020-01-21 downloaded from the CCDC.
;
_cell_angle_alpha                71.125(4)
_cell_angle_beta                 73.114(4)
_cell_angle_gamma                76.737(4)
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_cell_length_b                   12.2039(12)
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_cell_measurement_temperature    150(2)
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_diffrn_ambient_temperature      150(2)
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_diffrn_measured_fraction_theta_full 0.991
_diffrn_measured_fraction_theta_max 0.992
_diffrn_measurement_device_type  'Bruker D8 - Venture'
_diffrn_measurement_method       '\f and \w scans to fill the Ewald sphere'
_diffrn_radiation_type           MoK\a
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_diffrn_reflns_av_unetI/netI     0.0514
_diffrn_reflns_Laue_measured_fraction_full 0.991
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_diffrn_reflns_limit_h_max       10
_diffrn_reflns_limit_h_min       -10
_diffrn_reflns_limit_k_max       15
_diffrn_reflns_limit_k_min       -15
_diffrn_reflns_limit_l_max       16
_diffrn_reflns_limit_l_min       -16
_diffrn_reflns_number            43758
_diffrn_reflns_point_group_measured_fraction_full 0.991
_diffrn_reflns_point_group_measured_fraction_max 0.992
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         25.998
_diffrn_reflns_theta_min         2.462
_diffrn_source                   'sealed X-ray tube'
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_exptl_absorpt_process_details
;
SADABS-2016/2 - Bruker AXS area detector
scaling and absorption correction
;
_exptl_crystal_colour            orange
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_exptl_crystal_description       prism
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_exptl_crystal_size_mid          0.473
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_refine_ls_extinction_method     none
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_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
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_refine_ls_number_reflns         5102
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.076
_refine_ls_R_factor_all          0.0941
_refine_ls_R_factor_gt           0.0763
_refine_ls_shift/su_max          0.000
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[\s^2^(Fo^2^)+(0.1138P)^2^+3.1540P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.2389
_refine_ls_wR_factor_ref         0.2467
_reflns_Friedel_coverage         0.000
_reflns_number_gt                3978
_reflns_number_total             5102
_reflns_threshold_expression     'I > 2\s(I)'
_cod_data_source_file            c9cc09497k2.cif
_cod_data_source_block           JVR180719O1
_cod_depositor_comments
'Adding full bibliography for 7125838--7125846.cif.'
_cod_database_code               7125838
_shelx_shelxl_version_number     2017/1
_shelx_estimated_absorpt_t_min   0.957
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_exptl_absorpt_special_details
;
The ratio of minimum to maximum
apparent transmission was 0.747
;
_shelx_res_checksum              9122