Rh(ii)-Catalyzed formation of pyrrolo[2,3-b]quinolines from azide-methylenecyclopropanes and isonitriles.
Chen, Kai; Tang, Xiang-Ying; Shi, Min; Chemical communications (Cambridge, England) 52 (2016) 1967–1970; doi:10.1039/c5cc09236a

data_7118597
_publ_section_title
;
 Rh(ii)-Catalyzed formation of pyrrolo[2,3-b]quinolines from
 azide-methylenecyclopropanes and isonitriles.
;
_journal_issue                   9
_journal_name_full               'Chemical communications (Cambridge, England)'
_journal_page_first              1967
_journal_page_last               1970
_journal_paper_doi               10.1039/c5cc09236a
_journal_volume                  52
_journal_year                    2016
_chemical_formula_sum            'C58 H66 N4 O4'
_chemical_formula_weight         883.14
_space_group_crystal_system      triclinic
_space_group_IT_number           2
_space_group_name_Hall           '-P 1'
_space_group_name_H-M_alt        'P -1'
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_atom_sites_solution_hydrogens   mixed
_audit_creation_method           SHELXL-2013
_audit_update_record
;
2014-08-25 deposited with the CCDC.
2015-12-03 downloaded from the CCDC.
;
_cell_angle_alpha                77.9460(10)
_cell_angle_beta                 84.4830(10)
_cell_angle_gamma                80.0410(10)
_cell_formula_units_Z            2
_cell_length_a                   10.37200(10)
_cell_length_b                   12.15760(10)
_cell_length_c                   21.0058(2)
_cell_measurement_reflns_used    9981
_cell_measurement_temperature    296(2)
_cell_measurement_theta_max      135.909
_cell_measurement_theta_min      8.626
_cell_volume                     2546.41(4)
_computing_cell_refinement       'Bruker SAINT'
_computing_data_collection       'Bruker APEX2'
_computing_data_reduction        'Bruker SAINT'
_computing_molecular_graphics    'Bruker SHELXTL'
_computing_publication_material  'Bruker SHELXTL'
_computing_structure_refinement  'SHELXL-2013 (Sheldrick, 2013)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 2008)'
_diffrn_ambient_temperature      296(2)
_diffrn_measured_fraction_theta_full 0.939
_diffrn_measured_fraction_theta_max 0.966
_diffrn_measurement_device_type  'Bruker APEX-II CCD'
_diffrn_measurement_method       '\f and \w scans'
_diffrn_radiation_type           CuK\a
_diffrn_radiation_wavelength     1.54178
_diffrn_reflns_av_R_equivalents  0.0415
_diffrn_reflns_av_unetI/netI     0.0333
_diffrn_reflns_Laue_measured_fraction_full 0.939
_diffrn_reflns_Laue_measured_fraction_max 0.966
_diffrn_reflns_limit_h_max       12
_diffrn_reflns_limit_h_min       -12
_diffrn_reflns_limit_k_max       14
_diffrn_reflns_limit_k_min       -14
_diffrn_reflns_limit_l_max       23
_diffrn_reflns_limit_l_min       -24
_diffrn_reflns_number            64050
_diffrn_reflns_point_group_measured_fraction_full 0.939
_diffrn_reflns_point_group_measured_fraction_max 0.966
_diffrn_reflns_theta_full        67.679
_diffrn_reflns_theta_max         66.475
_diffrn_reflns_theta_min         3.764
_exptl_absorpt_coefficient_mu    0.563
_exptl_absorpt_correction_T_max  0.7533
_exptl_absorpt_correction_T_min  0.6718
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   sadabs
_exptl_crystal_colour            colorless
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_exptl_crystal_description       prismatic
_exptl_crystal_F_000             948
_exptl_crystal_size_max          0.165
_exptl_crystal_size_mid          0.112
_exptl_crystal_size_min          0.056
_refine_diff_density_max         0.293
_refine_diff_density_min         -0.355
_refine_diff_density_rms         0.030
_refine_ls_extinction_coef       0.0020(3)
_refine_ls_extinction_expression Fc^*^=kFc[1+0.001xFc^2^\l^3^/sin(2\q)]^-1/4^
_refine_ls_extinction_method     SHELXL
_refine_ls_goodness_of_fit_ref   1.003
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     637
_refine_ls_number_reflns         8675
_refine_ls_number_restraints     66
_refine_ls_restrained_S_all      0.999
_refine_ls_R_factor_all          0.0517
_refine_ls_R_factor_gt           0.0444
_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^)+(0.0698P)^2^+0.5407P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1255
_refine_ls_wR_factor_ref         0.1347
_reflns_Friedel_coverage         0.000
_reflns_number_gt                7357
_reflns_number_total             8675
_reflns_threshold_expression     'I > 2\s(I)'
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_cod_data_source_block           dm14417
_cod_database_code               7118597
_shelxl_version_number           2013-4
_shelx_res_checksum              62727