Stereoselective furan-iminium cation cyclization in the construction of the core structure of manzamine A.
Tokumaru, Kazuyuki; Arai, Shigeru; Nishida, Atsushi; Organic letters 8 (2006) 27–30; doi:10.1021/ol052387m

data_1505819
_publ_section_title
;
 Stereoselective furan-iminium cation cyclization in the construction of
 the core structure of manzamine A.
;
_journal_issue                   1
_journal_name_full               'Organic letters'
_journal_page_first              27
_journal_page_last               30
_journal_paper_doi               10.1021/ol052387m
_journal_volume                  8
_journal_year                    2006
_chemical_formula_moiety         'C25 H32 N2 O7 S '
_chemical_formula_sum            'C25 H32 N2 O7 S'
_chemical_formula_weight         504.60
_space_group_IT_number           33
_symmetry_cell_setting           orthorhombic
_symmetry_Int_Tables_number      33
_symmetry_space_group_name_Hall  'P 2c -2n'
_symmetry_space_group_name_H-M   'P n a 21'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   11.972(2)
_cell_length_b                   12.187(3)
_cell_length_c                   17.556(3)
_cell_measurement_reflns_used    16
_cell_measurement_temperature    298.2
_cell_measurement_theta_max      14.7
_cell_measurement_theta_min      12.0
_cell_volume                     2561.5(9)
_computing_cell_refinement       WinAFC
_computing_data_collection       WinAFC
_computing_data_reduction        'teXsan Ver. 1.11'
_computing_publication_material  'teXsan Ver. 1.11'
_computing_structure_refinement  'teXsan Ver. 1.10'
_computing_structure_solution    SIR97
_diffrn_measured_fraction_theta_full 0.9996
_diffrn_measured_fraction_theta_max 0.9996
_diffrn_measurement_device_type  'Rigaku AFC7S'
_diffrn_measurement_method       \w-2\q
_diffrn_radiation_type           'Cu K\a'
_diffrn_radiation_wavelength     1.5418
_diffrn_reflns_limit_h_max       14
_diffrn_reflns_limit_h_min       0
_diffrn_reflns_limit_k_max       14
_diffrn_reflns_limit_k_min       0
_diffrn_reflns_limit_l_max       21
_diffrn_reflns_limit_l_min       0
_diffrn_reflns_number            2722
_diffrn_reflns_theta_full        68.98
_diffrn_reflns_theta_max         68.98
_diffrn_standards_decay_%        1.74
_diffrn_standards_interval_count 150
_diffrn_standards_number         3
_exptl_absorpt_coefficient_mu    1.518
_exptl_absorpt_correction_T_max  0.968
_exptl_absorpt_correction_T_min  0.812
_exptl_absorpt_correction_type   psi-scan
_exptl_absorpt_process_details   '(North, Phillips & Mathews, 1968)'
_exptl_crystal_colour            colorless
_exptl_crystal_density_diffrn    1.308
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       prismatic
_exptl_crystal_size_max          0.300
_exptl_crystal_size_mid          0.300
_exptl_crystal_size_min          0.200
_refine_diff_density_max         0.18
_refine_diff_density_min         -0.18
_refine_ls_abs_structure_Flack   0.98(6)
_refine_ls_extinction_coef       0.056(2)
_refine_ls_extinction_method     'Zachariasen(1967) type 2 Gaussian isotropic'
_refine_ls_goodness_of_fit_ref   1.377
_refine_ls_hydrogen_treatment    noref
_refine_ls_number_parameters     317
_refine_ls_number_reflns         2357
_refine_ls_R_factor_gt           0.0407
_refine_ls_shift/su_max          0.0101
_refine_ls_structure_factor_coef F
_refine_ls_weighting_details     'w = 1/[\s^2^(Fo) + 0.00022|Fo|^2^]'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_ref         0.0514
_reflns_number_gt                2014
_reflns_number_total             2466
_reflns_threshold_expression     F^2^>2.0\s(F^2^)
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_cod_data_source_block           compound_20
_cod_original_cell_volume        2561(1)
_cod_original_sg_symbol_H-M      'P n a 21     '
_cod_original_formula_sum        'C25 H32 N2 O7 S '
_cod_database_code               1505819