γ-Carboline synthesis enabled by Rh(iii)-catalysed regioselective C-H annulation.
Jiang, Bo; Jia, Jingwen; Sun, Yufei; Wang, Yichun; Zeng, Jing; Bu, Xiubin; Shi, Liangliang; Sun, Xiaoying; Yang, Xiaobo; Chemical communications (Cambridge, England) 56 (2020) 13389–13392; doi:10.1039/d0cc04740f

data_7127383
_publ_section_title
;
 \g-Carboline synthesis enabled by Rh(iii)-catalysed regioselective C-H
 annulation.
;
_journal_issue                   87
_journal_name_full
'Chemical communications (Cambridge, England)'
_journal_page_first              13389
_journal_page_last               13392
_journal_paper_doi               10.1039/d0cc04740f
_journal_volume                  56
_journal_year                    2020
_chemical_formula_sum            'C22 H28 Cl N2 O Rh'
_chemical_formula_weight         474.82
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_audit_creation_method           SHELXL-2014/7
_audit_update_record
;
2020-08-18 deposited with the CCDC.	2020-10-05 downloaded from the CCDC.
;
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_cell_angle_gamma                90
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_cell_length_c                   16.2260(4)
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_cell_measurement_temperature    170(2)
_cell_measurement_theta_max      68.39
_cell_measurement_theta_min      4.97
_cell_volume                     2050.89(9)
_computing_structure_refinement  'SHELXL-2014/7 (Sheldrick, 2014)'
_diffrn_ambient_temperature      170(2)
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_diffrn_measurement_device_type  'Bruker APEX-II CCD'
_diffrn_measurement_method       '\f and \w scans'
_diffrn_radiation_type           CuK\a
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_diffrn_reflns_Laue_measured_fraction_full 0.993
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_diffrn_reflns_point_group_measured_fraction_full 0.993
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_diffrn_reflns_theta_max         68.434
_diffrn_reflns_theta_min         5.473
_exptl_absorpt_coefficient_mu    8.033
_exptl_crystal_colour            orange
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_exptl_crystal_description       block
_exptl_crystal_F_000             976
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_refine_diff_density_min         -0.374
_refine_diff_density_rms         0.048
_refine_ls_extinction_method     none
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_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
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_refine_ls_number_reflns         3727
_refine_ls_number_restraints     294
_refine_ls_restrained_S_all      1.012
_refine_ls_R_factor_all          0.0181
_refine_ls_R_factor_gt           0.0174
_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^)+(0.0157P)^2^+1.2969P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
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_refine_ls_wR_factor_ref         0.0434
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_reflns_number_gt                3604
_reflns_number_total             3727
_reflns_threshold_expression     'I > 2\s(I)'
_cod_data_source_file            d0cc04740f2.cif
_cod_data_source_block           20200817_0ma_a
_cod_depositor_comments
'Adding full bibliography for 7127382--7127383.cif.'
_cod_original_sg_symbol_H-M      'P 21/c'
_cod_database_code               7127383
_shelx_shelxl_version_number     2014/7
_shelx_res_checksum              87117
_shelx_hkl_checksum              31759