Enantioselective Total Syntheses of Manzamine A and Related Alkaloids
John M. Humphrey; Yusheng Liao; Amjad Ali; Tobias Rein; Yue-Ling Wong; Hui-Ju Chen; Anne K. Courtney; Stephen F. Martin; Journal of the American Chemical Society 124 (2002) 8584–8592; doi:10.1021/ja0202964

data_4114962
_publ_section_title
;
 Enantioselective Total Syntheses of Manzamine A and Related Alkaloids
;
_journal_name_full               'Journal of the American Chemical Society'
_journal_page_first              8584
_journal_page_last               8592
_journal_paper_doi               10.1021/ja0202964
_journal_volume                  124
_journal_year                    2002
_chemical_formula_sum            'C21 H31.6 I N2 O1.3'
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_chemical_name_systematic
; 
 ? 
;
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_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
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_cell_angle_beta                 90.00
_cell_angle_gamma                90.00
_cell_formula_units_Z            8
_cell_length_a                   9.908(4)
_cell_length_b                   10.763(4)
_cell_length_c                   38.02(2)
_cell_measurement_reflns_used    32
_cell_measurement_temperature    183(2)
_cell_measurement_theta_max      9.3
_cell_measurement_theta_min      7
_cell_volume                     4054(3)
_computing_structure_refinement  'SHELXL-93 (Sheldrick, 1993)'
_computing_structure_solution    'SHELXS-86 (Sheldrick, 1990)'
_diffrn_ambient_temperature      183(2)
_diffrn_measurement_device_type  'Siemens P3'
_diffrn_measurement_method       \w-scan
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'normal-focus sealed tube'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0000
_diffrn_reflns_av_sigmaI/netI    0.0473
_diffrn_reflns_limit_h_max       12
_diffrn_reflns_limit_h_min       -12
_diffrn_reflns_limit_k_max       13
_diffrn_reflns_limit_k_min       0
_diffrn_reflns_limit_l_max       47
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_diffrn_reflns_theta_min         2
_diffrn_standards_decay_%        2
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_diffrn_standards_number         4
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_exptl_absorpt_correction_T_max  .85
_exptl_absorpt_correction_T_min  .80
_exptl_absorpt_correction_type   gaussian
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_exptl_crystal_description       needle
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_exptl_crystal_size_max          .52
_exptl_crystal_size_mid          .13
_exptl_crystal_size_min          .13
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_refine_diff_density_min         -0.53
_refine_ls_extinction_method     none
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_refine_ls_hydrogen_treatment    constr
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_refine_ls_number_reflns         3575
_refine_ls_number_restraints     0
_refine_ls_R_factor_gt           0.0486
_refine_ls_shift/su_max          0.000
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef F
_refine_ls_weighting_details     'calc w=1/[\s^2^(Fo)+(0.0004(Fo^2^))]'
_refine_ls_weighting_scheme      calc
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_reflns_threshold_expression     >2sigma(I)
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_cod_data_source_block           Compound36
_cod_original_formula_sum        'C21 H31.6 N2 O1.3 I'
_cod_database_code               4114962