Gold-catalyzed synthesis of tetrahydrocarbazole derivatives through an intermolecular cycloaddition of vinyl indoles and N-allenamides
Valentina Pirovano; Laura Decataldo; Elisabetta Rossi; Ruben Vicente; Chem.Commun. 49 (2013) 3594–; doi:10.1039/c3cc41514g

data_7109142
_publ_section_title
;
 Gold-catalyzed synthesis of tetrahydrocarbazole derivatives through an
 intermolecular cycloaddition of vinyl indoles and N-allenamides
;
_journal_name_full               Chem.Commun.
_journal_page_first              3594
_journal_paper_doi               10.1039/c3cc41514g
_journal_volume                  49
_journal_year                    2013
_chemical_formula_sum            'C37 H45 Cl2 N3 O7'
_chemical_formula_weight         714.66
_space_group_IT_number           14
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-P 2ybc'
_symmetry_space_group_name_H-M   'P 1 21/c 1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_cell_angle_alpha                90.0
_cell_angle_beta                 91.808(5)
_cell_angle_gamma                90.0
_cell_formula_units_Z            4.00000
_cell_length_a                   12.9978(8)
_cell_length_b                   22.7937(14)
_cell_length_c                   12.2394(8)
_cell_measurement_reflns_used    1270
_cell_measurement_temperature    123.00(10)
_cell_measurement_theta_max      40.6523
_cell_measurement_theta_min      3.3992
_cell_volume                     3624.3(4)
_computing_cell_refinement
;
CrysAlisPro, Agilent Technologies,
Version 1.171.35.19 (release 27-10-2011 CrysAlis171 .NET)
(compiled Oct 27 2011,15:02:11)
;
_computing_data_collection
;
CrysAlisPro, Agilent Technologies,
Version 1.171.35.19 (release 27-10-2011 CrysAlis171 .NET)
(compiled Oct 27 2011,15:02:11)
;
_computing_data_reduction
;
CrysAlisPro, Agilent Technologies,
Version 1.171.35.19 (release 27-10-2011 CrysAlis171 .NET)
(compiled Oct 27 2011,15:02:11)
;
_diffrn_ambient_temperature      123.00(10)
_diffrn_detector_area_resol_mean 8.2640
_diffrn_measured_fraction_theta_full 0.967
_diffrn_measured_fraction_theta_max 0.967
_diffrn_measurement_device_type  'Xcalibur, Onyx, Nova'
_diffrn_measurement_method       '\w scans'
_diffrn_orient_matrix_UB_11      0.0843732000
_diffrn_orient_matrix_UB_12      -0.0328469000
_diffrn_orient_matrix_UB_13      0.0667268000
_diffrn_orient_matrix_UB_21      -0.0825642000
_diffrn_orient_matrix_UB_22      -0.0264388000
_diffrn_orient_matrix_UB_23      0.0729727000
_diffrn_orient_matrix_UB_31      -0.0110494000
_diffrn_orient_matrix_UB_32      -0.0528289000
_diffrn_orient_matrix_UB_33      -0.0779941000
_diffrn_radiation_monochromator  mirror
_diffrn_radiation_source         'Nova (Cu) X-ray Source'
_diffrn_radiation_type           'Cu K\a'
_diffrn_radiation_wavelength     1.5418
_diffrn_reflns_av_R_equivalents  0.0277
_diffrn_reflns_av_sigmaI/netI    0.0826
_diffrn_reflns_limit_h_max       10
_diffrn_reflns_limit_h_min       -10
_diffrn_reflns_limit_k_max       19
_diffrn_reflns_limit_k_min       -15
_diffrn_reflns_limit_l_max       10
_diffrn_reflns_limit_l_min       -9
_diffrn_reflns_number            4608
_diffrn_reflns_theta_full        40.69
_diffrn_reflns_theta_max         40.6523
_diffrn_reflns_theta_min         3.3992
_exptl_crystal_size_max          0.1248
_exptl_crystal_size_mid          0.0625
_exptl_crystal_size_min          0.0317
_refine_diff_density_max         0.471
_refine_diff_density_min         -0.717
_refine_diff_density_rms         0.093
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.429
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     431
_refine_ls_number_reflns         2219
_refine_ls_number_restraints     24
_refine_ls_restrained_S_all      1.429
_refine_ls_R_factor_all          0.1387
_refine_ls_R_factor_gt           0.1129
_refine_ls_shift/su_max          0.000
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[\s^2^(Fo^2^)+(0.2000P)^2^+0.0000P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.3185
_refine_ls_wR_factor_ref         0.3450
_cod_data_source_file            c3cc41514g.txt
_cod_data_source_block           ruben
_cod_original_cell_volume        3624.4(4)
_cod_database_code               7109142
_reflns_odcompleteness_completeness 99.26
_reflns_odcompleteness_theta     39.93
_reflns_odcompleteness_iscentric 1
_chemical_oxdiff_formula         'C32 H33 N3 O6'