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_7109950
_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         'C26 H30 N2 O5'
_chemical_formula_sum            'C26 H30 N2 O5'
_chemical_formula_weight         450.52
_space_group_IT_number           2
_symmetry_cell_setting           triclinic
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_cell_angle_alpha                87.450(4)
_cell_angle_beta                 88.887(4)
_cell_angle_gamma                81.918(4)
_cell_formula_units_Z            4
_cell_length_a                   8.5277(8)
_cell_length_b                   11.7075(12)
_cell_length_c                   24.388(2)
_cell_measurement_temperature    296(2)
_cell_volume                     2408.1(4)
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 2008)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 2008)'
_diffrn_ambient_temperature      296(2)
_diffrn_measured_fraction_theta_full 0.990
_diffrn_measured_fraction_theta_max 0.990
_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  0.0463
_diffrn_reflns_av_sigmaI/netI    0.0400
_diffrn_reflns_limit_h_max       9
_diffrn_reflns_limit_h_min       -9
_diffrn_reflns_limit_k_max       13
_diffrn_reflns_limit_k_min       -12
_diffrn_reflns_limit_l_max       27
_diffrn_reflns_limit_l_min       -27
_diffrn_reflns_number            28168
_diffrn_reflns_theta_full        23.95
_diffrn_reflns_theta_max         23.95
_diffrn_reflns_theta_min         0.84
_exptl_absorpt_coefficient_mu    0.086
_exptl_absorpt_correction_T_max  0.9696
_exptl_absorpt_correction_T_min  0.9445
_exptl_crystal_density_diffrn    1.243
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             960
_exptl_crystal_size_max          0.67
_exptl_crystal_size_mid          0.46
_exptl_crystal_size_min          0.36
_refine_diff_density_max         0.344
_refine_diff_density_min         -0.249
_refine_diff_density_rms         0.036
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.026
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     605
_refine_ls_number_reflns         7458
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.026
_refine_ls_R_factor_all          0.0937
_refine_ls_R_factor_gt           0.0563
_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^)+(0.0800P)^2^+0.7000P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1484
_refine_ls_wR_factor_ref         0.1751
_reflns_number_gt                4686
_reflns_number_total             7458
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            c3cc45820b.txt
_cod_data_source_block           ts
_cod_database_code               7109950