Site-Selective Rh-Catalyzed C-7 and C-6 Dual C-H Functionalization of Indolines: Synthesis of Functionalized Pyrrolocarbazoles.
Banerjee, Sonbidya; Vivek Kumar, Sundaravel; Punniyamurthy, Tharmalingam; The Journal of organic chemistry  (2020) –; doi:10.1021/acs.joc.9b03180

data_4037825
_publ_section_title
;
 Site-Selective Rh-Catalyzed C-7 and C-6 Dual C-H Functionalization of
 Indolines: Synthesis of Functionalized Pyrrolocarbazoles.
;
_journal_name_full               'The Journal of organic chemistry'
_journal_paper_doi               10.1021/acs.joc.9b03180
_journal_year                    2020
_chemical_formula_moiety         'C22 H25 Cl N3 Rh'
_chemical_formula_sum            'C22 H25 Cl N3 Rh'
_chemical_formula_weight         469.81
_space_group_crystal_system      triclinic
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_atom_sites_solution_hydrogens   geom
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_cell_angle_beta                 91.645(6)
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_cell_length_c                   11.777(3)
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_cell_measurement_temperature    296(2)
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_cell_measurement_theta_min      2.52
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_diffrn_ambient_temperature      296(2)
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_diffrn_measured_fraction_theta_max 0.982
_diffrn_measurement_device_type  'Bruker APEX-II CCD'
_diffrn_measurement_method       '\f and \w scans'
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_diffrn_reflns_av_R_equivalents  0.0430
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_diffrn_reflns_Laue_measured_fraction_full 0.999
_diffrn_reflns_Laue_measured_fraction_max 0.982
_diffrn_reflns_limit_h_max       11
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_diffrn_reflns_limit_l_max       15
_diffrn_reflns_limit_l_min       -15
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_diffrn_reflns_point_group_measured_fraction_full 0.999
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_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         28.809
_diffrn_reflns_theta_min         1.738
_exptl_absorpt_coefficient_mu    1.004
_exptl_absorpt_correction_type   multi-scan
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_exptl_crystal_colour            brown
_exptl_crystal_density_diffrn    1.567
_exptl_crystal_description       plate
_exptl_crystal_F_000             660
_exptl_crystal_size_max          0.30
_exptl_crystal_size_mid          0.25
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_exptl_transmission_factor_min   0.747
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_refine_diff_density_rms         0.239
_refine_ls_extinction_method     none
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_refine_ls_number_parameters     249
_refine_ls_number_reflns         5099
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      0.872
_refine_ls_R_factor_all          0.0423
_refine_ls_R_factor_gt           0.0367
_refine_ls_shift/su_max          0.002
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[\s^2^(Fo^2^)+(0.1000P)^2^+0.7336P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0970
_refine_ls_wR_factor_ref         0.1084
_reflns_Friedel_coverage         0.000
_reflns_number_gt                4666
_reflns_number_total             5099
_reflns_threshold_expression     'I > 2\s(I)'
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_cod_data_source_block           SB-B-COM_0m_a
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_shelx_hkl_checksum              51491