Synthetically useful noncatalytic strategy: a stereocontrolled rapid cyclization of a three component system to afford hexahydropyrrolizines
Tista Sengupta; Saikat Khamarui; Srikanta Samanta; Dilip K. Maiti; Chem.Commun. 49 (2013) 9962–; doi:10.1039/c3cc45820b

data_7109951
_publ_section_title
;
 Synthetically useful noncatalytic strategy: a stereocontrolled rapid
 cyclization of a three component system to afford hexahydropyrrolizines
;
_journal_name_full               Chem.Commun.
_journal_page_first              9962
_journal_paper_doi               10.1039/c3cc45820b
_journal_volume                  49
_journal_year                    2013
_chemical_formula_moiety         'C27 H24 N2 O6'
_chemical_formula_sum            'C27 H24 N2 O6'
_chemical_formula_weight         472.48
_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                 109.361(7)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   13.131(7)
_cell_length_b                   16.402(9)
_cell_length_c                   11.331(6)
_cell_measurement_temperature    296(2)
_cell_volume                     2302(2)
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 2008)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 2008)'
_diffrn_ambient_temperature      296(2)
_diffrn_measured_fraction_theta_full 0.983
_diffrn_measured_fraction_theta_max 0.983
_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  0.0470
_diffrn_reflns_av_sigmaI/netI    0.0259
_diffrn_reflns_limit_h_max       14
_diffrn_reflns_limit_h_min       -14
_diffrn_reflns_limit_k_max       18
_diffrn_reflns_limit_k_min       -18
_diffrn_reflns_limit_l_max       12
_diffrn_reflns_limit_l_min       -12
_diffrn_reflns_number            27624
_diffrn_reflns_theta_full        23.74
_diffrn_reflns_theta_max         23.74
_diffrn_reflns_theta_min         1.64
_exptl_absorpt_coefficient_mu    0.097
_exptl_crystal_density_diffrn    1.363
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             992
_refine_diff_density_max         0.222
_refine_diff_density_min         -0.188
_refine_diff_density_rms         0.038
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   0.999
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     317
_refine_ls_number_reflns         3453
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      0.999
_refine_ls_R_factor_all          0.0716
_refine_ls_R_factor_gt           0.0490
_refine_ls_shift/su_max          0.189
_refine_ls_shift/su_mean         0.003
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[\s^2^(Fo^2^)+(0.0641P)^2^+1.5934P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1229
_refine_ls_wR_factor_ref         0.1466
_reflns_number_gt                2557
_reflns_number_total             3453
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            c3cc45820b.txt
_cod_data_source_block           ts324
_cod_original_sg_symbol_H-M      P12(1)/c1
_cod_database_code               7109951