Lewis Acid Catalyzed Reaction of Methylenecyclopropanes with 1,2-Diphenyldiselane or 1,2-Di-p-tolyldisulfane
Lei Yu; Jundong Meng; Ling Xia; Rong Guo; Journal of Organic Chemistry 74 (2009) 5087–5089; doi:10.1021/jo9006514

data_4024642
_publ_contact_author_address
;
      College of Chemistry & Chemical Engineering
      Yangzhou University
      Yangzhou 225002, 
      P.R. China

;
_publ_contact_author_email       yulei@yzu.edu.cn
_publ_contact_author_fax         +86-514-87975590-8401
_publ_contact_author_name        'Lei Yu'
_publ_contact_author_phone       +86-514-87975531
_publ_section_title
;
Lewis Acid Catalyzed Reaction of Methylenecyclopropanes with
1,2-Diphenyldiselane or 1,2-Di-p-tolyldisulfane
;
_journal_name_full               'Journal of Organic Chemistry'
_journal_page_first              5087
_journal_page_last               5089
_journal_paper_doi               10.1021/jo9006514
_journal_volume                  74
_journal_year                    2009
_chemical_formula_moiety         'C27 H30 Se2 '
_chemical_formula_sum            'C27 H30 Se2'
_chemical_formula_weight         512.43
_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                90.00
_cell_angle_beta                 93.265(3)
_cell_angle_gamma                90.00
_cell_formula_units_Z            12
_cell_length_a                   10.212(2)
_cell_length_b                   12.584(3)
_cell_length_c                   54.613(11)
_cell_measurement_reflns_used    9940
_cell_measurement_temperature    296(2)
_cell_measurement_theta_max      27.5215
_cell_measurement_theta_min      2.4255
_cell_volume                     7007(3)
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      296(2)
_diffrn_measured_fraction_theta_full 0.982
_diffrn_measured_fraction_theta_max 0.982
_diffrn_measurement_device_type  'CCD area detector'
_diffrn_measurement_method       'phi and omega scans'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.1760
_diffrn_reflns_av_sigmaI/netI    0.1340
_diffrn_reflns_limit_h_max       13
_diffrn_reflns_limit_h_min       -13
_diffrn_reflns_limit_k_max       16
_diffrn_reflns_limit_k_min       -15
_diffrn_reflns_limit_l_max       62
_diffrn_reflns_limit_l_min       -71
_diffrn_reflns_number            60071
_diffrn_reflns_theta_full        27.81
_diffrn_reflns_theta_max         27.81
_diffrn_reflns_theta_min         1.66
_exptl_absorpt_coefficient_mu    3.174
_exptl_absorpt_correction_T_max  0.602
_exptl_absorpt_correction_T_min  0.549
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   sadabs
_exptl_crystal_colour            colorless
_exptl_crystal_density_diffrn    1.457
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             3120.0
_exptl_crystal_size_max          0.38
_exptl_crystal_size_mid          0.16
_exptl_crystal_size_min          0.16
_refine_diff_density_max         1.233
_refine_diff_density_min         -1.429
_refine_diff_density_rms         0.178
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.164
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     781
_refine_ls_number_reflns         16331
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.164
_refine_ls_R_factor_all          0.1539
_refine_ls_R_factor_gt           0.1186
_refine_ls_shift/su_max          0.083
_refine_ls_shift/su_mean         0.003
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[\s^2^(Fo^2^)+(0.0200P)^2^+95.1942P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.2138
_refine_ls_wR_factor_ref         0.2263
_reflns_number_gt                11464
_reflns_number_total             16627
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            jo9006514_si_001.cif
_cod_data_source_block           ylgyl119a_0m
_cod_depositor_comments
;
The following automatic conversions were performed:
'_symmetry_cell_setting' value 'Monoclinic' changed to 'monoclinic'
according to '/home/saulius/struct/CIF-dictionaries/cif_core.dic'
dictionary named 'cif_core.dic' version 2.4.1 from 2010-06-29.

Automatic conversion script
Id: cif_fix_enum 1527 2010-12-29 10:47:43Z saulius 
;
_cod_original_sg_symbol_Hall     '-P 2ybc '
_cod_original_sg_symbol_H-M      'P 21/c '
_cod_original_formula_sum        'C27 H30 Se2 '
_cod_database_code               4024642