Rhodium(III)-catalyzed tunable coupling reaction of indole derivatives with alkylidenecyclopropanes via C−H activation
Shi, Min; Liu, Ruixing; Wei, Yin; Chemical Communications  (2019) –; doi:10.1039/C9CC03134K

data_7123590
_publ_section_title
;
 Rhodium(III)-catalyzed tunable coupling reaction of indole derivatives
 with alkylidenecyclopropanes via C&#x2212;H activation
;
_journal_name_full               'Chemical Communications'
_journal_paper_doi               10.1039/C9CC03134K
_journal_year                    2019
_chemical_formula_sum            'C22 H18 F N3'
_chemical_formula_weight         343.39
_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'
_symmetry_space_group_name_Hall  '-P 2ybc'
_symmetry_space_group_name_H-M   'P 1 21/c 1'
_atom_sites_solution_hydrogens   geom
_audit_creation_method           SHELXL-2013
_audit_update_record
;
2019-02-23 deposited with the CCDC.    2019-06-04 downloaded from the CCDC.
;
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_cell_angle_beta                 102.963(8)
_cell_angle_gamma                90
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_cell_length_c                   22.273(7)
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_cell_measurement_temperature    293(2)
_cell_measurement_theta_max      48.306
_cell_measurement_theta_min      4.663
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_computing_cell_refinement       'Bruker SAINT'
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_diffrn_ambient_temperature      293(2)
_diffrn_measured_fraction_theta_full 0.998
_diffrn_measured_fraction_theta_max 0.998
_diffrn_measurement_device_type  'Bruker APEX-II CCD'
_diffrn_measurement_method       '\f and \w scans'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0920
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_diffrn_reflns_limit_h_max       12
_diffrn_reflns_limit_h_min       -13
_diffrn_reflns_limit_k_max       18
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_diffrn_reflns_limit_l_min       -25
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_diffrn_reflns_point_group_measured_fraction_full 0.998
_diffrn_reflns_point_group_measured_fraction_max 0.998
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_exptl_absorpt_correction_T_min  0.5113
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_exptl_absorpt_process_details   sadabs
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_exptl_crystal_description       prismatic
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_refine_ls_extinction_expression Fc^*^=kFc[1+0.001xFc^2^\l^3^/sin(2\q)]^-1/4^
_refine_ls_extinction_method     SHELXL
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_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
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_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[\s^2^(Fo^2^)+(0.0556P)^2^+0.7933P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
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_reflns_number_total             6726
_reflns_threshold_expression     'I > 2\s(I)'
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_cod_data_source_block           mo_d8v19146_0m
_cod_original_cell_volume        3616.6(17)
_cod_database_code               7123590
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_shelx_estimated_absorpt_t_max   0.993
_shelxl_version_number           2013-4
_shelx_res_checksum              29098