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_7127382
_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            'C19 H16 N2'
_chemical_formula_weight         272.34
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_space_group_name_Hall           '-P 2ac 2ab'
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_audit_creation_method           SHELXL-2014/7
_audit_update_record
;
2020-06-19 deposited with the CCDC.	2020-10-05 downloaded from the CCDC.
;
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_cell_angle_gamma                90
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_cell_measurement_theta_max      23.20
_cell_measurement_theta_min      3.50
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_computing_structure_refinement  'SHELXL-2014/7 (Sheldrick, 2014)'
_diffrn_ambient_temperature      289(2)
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_diffrn_measurement_device_type  'Bruker APEX-II CCD'
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_diffrn_reflns_Laue_measured_fraction_full 0.997
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_diffrn_reflns_limit_h_max       17
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_diffrn_reflns_point_group_measured_fraction_full 0.997
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_diffrn_reflns_theta_max         20.795
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_exptl_absorpt_coefficient_mu    0.075
_exptl_crystal_colour            colorless
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_exptl_crystal_description       block
_exptl_crystal_F_000             1152
_refine_diff_density_max         0.886
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_refine_ls_extinction_coef       0.044(4)
_refine_ls_extinction_expression Fc^*^=kFc[1+0.001xFc^2^\l^3^/sin(2\q)]^-1/4^
_refine_ls_extinction_method     'SHELXL-2014/7 (Sheldrick 2014'
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_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
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_refine_ls_number_reflns         1501
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_refine_ls_restrained_S_all      1.105
_refine_ls_R_factor_all          0.0997
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_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^)+(0.0932P)^2^] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1235
_refine_ls_wR_factor_ref         0.1511
_reflns_Friedel_coverage         0.000
_reflns_number_gt                1105
_reflns_number_total             1501
_reflns_threshold_expression     'I > 2\s(I)'
_cod_data_source_file            d0cc04740f2.cif
_cod_data_source_block           20191015_1a_0ma_a
_cod_depositor_comments
'Adding full bibliography for 7127382--7127383.cif.'
_cod_original_cell_volume        2874.2(5)
_cod_database_code               7127382
_shelx_shelxl_version_number     2014/7
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