Rh-Catalyzed C–C/C–N bond formation via C–H activation: synthesis of 2H-indazol-2-yl-benzo[a]carbazoles
Vivek Kumar, Sundaravel; Banerjee, Sonbidya; Punniyamurthy, Tharmalingam; Organic Chemistry Frontiers 6 (2019) 3885–; doi:10.1039/C9QO01120J

data_1555193
_publ_section_title
;
 Rh-Catalyzed C--C/C--N bond formation via C--H activation: synthesis of
 2H-indazol-2-yl-benzo[a]carbazoles
;
_journal_issue                   23
_journal_name_full               'Organic Chemistry Frontiers'
_journal_page_first              3885
_journal_paper_doi               10.1039/C9QO01120J
_journal_volume                  6
_journal_year                    2019
_chemical_compound_source        Synthetic
_chemical_formula_moiety         'C30 H23 N3 O2 S'
_chemical_formula_sum            'C30 H23 N3 O2 S'
_chemical_formula_weight         489.57
_chemical_melting_point          537
_chemical_name_systematic
7-(2H-Indazol-2-yl)-11-tosyl-6a,11a-dihydro-11H-benzo[a]carbazole
_space_group_crystal_system      monoclinic
_space_group_IT_number           14
_space_group_name_Hall           '-P 2ybc'
_space_group_name_H-M_alt        'P 1 21/c 1'
_atom_sites_solution_hydrogens   mixed
_audit_creation_method           SHELXL-2018/3
_audit_update_record
;
2019-05-22 deposited with the CCDC.	2019-10-14 downloaded from the CCDC.
;
_cell_angle_alpha                90
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_cell_measurement_temperature    293(2)
_cell_measurement_theta_max      29.20
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_computing_structure_solution    'SHELXT 2018/2 (Sheldrick, 2018)'
_diffrn_ambient_temperature      293(2)
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_diffrn_measured_fraction_theta_max 0.995
_diffrn_measurement_device_type  'Rigaku Saturn724'
_diffrn_measurement_method       \w
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_diffrn_reflns_av_R_equivalents  0.1070
_diffrn_reflns_av_unetI/netI     0.0457
_diffrn_reflns_Laue_measured_fraction_full 0.999
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_diffrn_reflns_limit_l_min       -23
_diffrn_reflns_number            83192
_diffrn_reflns_point_group_measured_fraction_full 0.999
_diffrn_reflns_point_group_measured_fraction_max 0.995
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         26.359
_diffrn_reflns_theta_min         1.546
_exptl_absorpt_coefficient_mu    0.165
_exptl_absorpt_correction_T_max  0.8778
_exptl_absorpt_correction_T_min  0.5007
_exptl_absorpt_correction_type   numerical
_exptl_crystal_colour            colorless
_exptl_crystal_density_diffrn    1.320
_exptl_crystal_description       prism
_exptl_crystal_F_000             1024
_exptl_crystal_recrystallization_method
'Re-crystallisation from solvent: Acetonitrile'
_exptl_crystal_size_max          0.086
_exptl_crystal_size_mid          0.057
_exptl_crystal_size_min          0.047
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_refine_diff_density_min         -0.429
_refine_diff_density_rms         0.051
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.023
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     368
_refine_ls_number_reflns         4995
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.023
_refine_ls_R_factor_all          0.0793
_refine_ls_R_factor_gt           0.0530
_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^)+(0.0614P)^2^+1.5985P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1282
_refine_ls_wR_factor_ref         0.1483
_reflns_Friedel_coverage         0.000
_reflns_number_gt                3591
_reflns_number_total             4995
_reflns_threshold_expression     'I > 2\s(I)'
_cod_data_source_file            c9qo01120j2.cif
_cod_data_source_block           shelx
_cod_original_cell_volume        2463.8(9)
_cod_original_sg_symbol_H-M      'P 21/c'
_cod_database_code               1555193
_shelx_shelxl_version_number     2018/3
_shelx_res_checksum              13045
_shelx_hkl_checksum              66520