Interaction of β-Lactam Carbenes with 3,6-Diphenyltetrazines: A Five-Step Cascade Reaction for the Direct Construction of Indeno[2,1-b]pyrrol-2-ones
Juan Xing; Xiao-Rong Wang; Cai-Xia Yan; Ying Cheng; Journal of Organic Chemistry 76 (2011) 4746–4752; doi:10.1021/jo200499u

data_4026364
_publ_section_title
;
 Interaction of \b-Lactam Carbenes with 3,6-Diphenyltetrazines: A
 Five-Step Cascade Reaction for the Direct Construction of
 Indeno[2,1-b]pyrrol-2-ones
;
_journal_name_full               'Journal of Organic Chemistry'
_journal_page_first              4746
_journal_page_last               4752
_journal_paper_doi               10.1021/jo200499u
_journal_volume                  76
_journal_year                    2011
_chemical_formula_sum            'C26 H23 N O2'
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_symmetry_space_group_name_H-M   'P c a 21'
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_cell_length_a                   20.497(4)
_cell_length_b                   10.569(2)
_cell_length_c                   19.108(4)
_cell_measurement_reflns_used    10513
_cell_measurement_temperature    113(2)
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_computing_cell_refinement       CrystalClear
_computing_data_collection       'CrystalClear(Rigaku/MSC Inc., 2005)'
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_computing_molecular_graphics    'Bruker SHELXTL'
_computing_publication_material  'Bruker SHELXTL'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      113(2)
_diffrn_detector_area_resol_mean 7.31
_diffrn_measured_fraction_theta_full 0.993
_diffrn_measured_fraction_theta_max 0.993
_diffrn_measurement_device_type  'Rigaku Saturn CCD area detector'
_diffrn_measurement_method       '\w and \f scans'
_diffrn_radiation_monochromator  graphite
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_diffrn_reflns_theta_max         27.87
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_diffrn_standards_interval_time  0
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_exptl_absorpt_coefficient_mu    0.077
_exptl_absorpt_correction_T_max  0.9863
_exptl_absorpt_correction_T_min  0.9803
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_refine_ls_abs_structure_details 'none, Friedel Pairs merged'
_refine_ls_extinction_coef       0.0084(10)
_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_matrix_type           full
_refine_ls_number_parameters     530
_refine_ls_number_reflns         5049
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_refine_ls_R_factor_all          0.0482
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_refine_ls_shift/su_max          0.002
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[\s^2^(Fo^2^)+(0.0710P)^2^+0.0000P] where P=(Fo^2^+2Fc^2^)/3'
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_cod_data_source_file            jo200499u_si_002.cif
_cod_data_source_block           r91014f1
_cod_original_cell_volume        4139.2(14)
_cod_database_code               4026364