Synthesis of functionalized indenes via cascade reaction of aziridines and propargyl alcohols.
Wang, Shaoyin; Zhu, Yuanxun; Wang, Yanguang; Lu, Ping; Organic letters 11 (2009) 2615–2618; doi:10.1021/ol901033h

data_1503996
_publ_section_title
;
 Synthesis of functionalized indenes via cascade reaction of aziridines
 and propargyl alcohols.
;
_journal_issue                   12
_journal_name_full               'Organic letters'
_journal_page_first              2615
_journal_page_last               2618
_journal_paper_doi               10.1021/ol901033h
_journal_volume                  11
_journal_year                    2009
_chemical_formula_moiety         'C36 H27 N O2 S '
_chemical_formula_sum            'C36 H27 N O2 S'
_chemical_formula_weight         537.67
_space_group_IT_number           14
_symmetry_cell_setting           monoclinic
_symmetry_Int_Tables_number      14
_symmetry_space_group_name_Hall  '-P 2ybc'
_symmetry_space_group_name_H-M   'P 1 21/c 1'
_cell_angle_alpha                90.0000
_cell_angle_beta                 105.4216(16)
_cell_angle_gamma                90.0000
_cell_formula_units_Z            4
_cell_length_a                   13.9715(6)
_cell_length_b                   12.9265(6)
_cell_length_c                   16.0665(9)
_cell_measurement_reflns_used    17324
_cell_measurement_temperature    296(1)
_cell_measurement_theta_max      27.4
_cell_measurement_theta_min      3.0
_cell_volume                     2797.2(2)
_computing_cell_refinement       PROCESS-AUTO
_computing_data_collection       PROCESS-AUTO
_computing_data_reduction        CrystalStructure
_computing_publication_material  'CrystalStructure 3.7.0'
_computing_structure_refinement  CRYSTALS
_computing_structure_solution    SIR97
_diffrn_detector_area_resol_mean 10.00
_diffrn_measured_fraction_theta_full 0.779
_diffrn_measured_fraction_theta_max 0.997
_diffrn_measurement_device_type  'Rigaku RAXIS-RAPID'
_diffrn_measurement_method       \w
_diffrn_radiation_type           'Mo K\a'
_diffrn_radiation_wavelength     0.71075
_diffrn_reflns_av_R_equivalents  0.033
_diffrn_reflns_limit_h_max       18
_diffrn_reflns_limit_h_min       -16
_diffrn_reflns_limit_k_max       15
_diffrn_reflns_limit_k_min       -16
_diffrn_reflns_limit_l_max       20
_diffrn_reflns_limit_l_min       -20
_diffrn_reflns_number            25854
_diffrn_reflns_theta_full        30.00
_diffrn_reflns_theta_max         27.43
_exptl_absorpt_coefficient_mu    0.150
_exptl_absorpt_correction_T_max  0.976
_exptl_absorpt_correction_T_min  0.936
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details
;
    Higashi, T. (1995). Program for Absorption Correction.
    Rigaku Corporation, Tokyo, Japan.
;
_exptl_crystal_colour            brown
_exptl_crystal_density_diffrn    1.277
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       chunk
_exptl_crystal_F_000             1128.00
_exptl_crystal_size_max          0.34
_exptl_crystal_size_mid          0.28
_exptl_crystal_size_min          0.16
_refine_diff_density_max         0.45
_refine_diff_density_min         -0.48
_refine_ls_extinction_coef       232(21)
_refine_ls_extinction_method
'Larson (1970) Crystallographic Computing eq. 22'
_refine_ls_goodness_of_fit_ref   1.000
_refine_ls_hydrogen_treatment    constr
_refine_ls_number_parameters     362
_refine_ls_number_reflns         6360
_refine_ls_R_factor_gt           0.0382
_refine_ls_shift/su_max          0.0000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w = 1/[0.0003Fo^2^ + 1.1000\s(Fo^2^)]/(4Fo^2^)'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_ref         0.0925
_reflns_number_gt                3521
_reflns_number_total             6360
_reflns_threshold_expression     F^2^>2.0\s(F^2^)
_cod_data_source_file            ol901033h_si_006.cif
_cod_data_source_block           '_WSY-6a'
_cod_original_formula_sum        'C36 H27 N O2 S '
_cod_database_code               1503996