Sieboldine A, a novel tetracyclic alkaloid from Lycopodium sieboldii, inhibiting acetylcholinesterase.
Hirasawa, Yusuke; Morita, Hiroshi; Shiro, Motoo; Kobayashi, Jun'ichi; Organic letters 5 (2003) 3991–3993; doi:10.1021/ol035560s

data_1507382
_publ_section_title
;
 Sieboldine A, a novel tetracyclic alkaloid from Lycopodium sieboldii,
 inhibiting acetylcholinesterase.
;
_journal_issue                   21
_journal_name_full               'Organic letters'
_journal_page_first              3991
_journal_page_last               3993
_journal_paper_doi               10.1021/ol035560s
_journal_volume                  5
_journal_year                    2003
_chemical_formula_moiety         'C16 H23 N O4 '
_chemical_formula_sum            'C16 H23 N O4'
_chemical_formula_weight         293.36
_space_group_IT_number           19
_symmetry_cell_setting           orthorhombic
_symmetry_Int_Tables_number      19
_symmetry_space_group_name_Hall  'P 2ac 2ab'
_symmetry_space_group_name_H-M   'P 21 21 21'
_audit_creation_date             'Wed Jul 23 08:49:58 2003'
_audit_creation_method           'by teXsan'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   7.8245(7)
_cell_length_b                   10.4867(9)
_cell_length_c                   17.601(1)
_cell_measurement_reflns_used    14654
_cell_measurement_temperature    93.2
_cell_measurement_theta_max      29.9
_cell_measurement_theta_min      3.4
_cell_volume                     1444.2(2)
_computing_cell_refinement       'PROCESS-AUTO (Rigaku, 1998)'
_computing_data_collection       'PROCESS-AUTO (Rigaku, 1998)'
_computing_data_reduction        'teXsan (MSC & Rigaku, 1999)'
_computing_molecular_graphics    'ORTEP (Johnson, 1976)'
_computing_publication_material  'teXsan (MSC & Rigaku, 1999)'
_computing_structure_refinement  'teXsan (MSC & Rigaku, 1999)'
_computing_structure_solution    'SIR97 (Altomare, 1999)'
_diffrn_detector_area_resol_mean 10.00
_diffrn_measured_fraction_theta_full 0.9967
_diffrn_measured_fraction_theta_max 0.9967
_diffrn_measurement_device_type  'Rigaku RAXIS-RAPID Imaging Plate'
_diffrn_measurement_method       \w
_diffrn_radiation_type           'Mo K\a'
_diffrn_radiation_wavelength     0.7107
_diffrn_reflns_av_R_equivalents  0.031
_diffrn_reflns_limit_h_max       10
_diffrn_reflns_limit_h_min       -10
_diffrn_reflns_limit_k_max       14
_diffrn_reflns_limit_k_min       -14
_diffrn_reflns_limit_l_max       24
_diffrn_reflns_limit_l_min       -24
_diffrn_reflns_number            16438
_diffrn_reflns_theta_full        29.99
_diffrn_reflns_theta_max         29.99
_exptl_absorpt_coefficient_mu    0.096
_exptl_absorpt_correction_T_max  0.972
_exptl_absorpt_correction_T_min  0.882
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   'ABSCOR (Higashi, 1995)'
_exptl_crystal_colour            colorless
_exptl_crystal_density_diffrn    1.349
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             632.00
_exptl_crystal_size_max          0.300
_exptl_crystal_size_mid          0.300
_exptl_crystal_size_min          0.300
_refine_diff_density_max         0.31
_refine_diff_density_min         -0.19
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.033
_refine_ls_hydrogen_treatment    noref
_refine_ls_number_parameters     193
_refine_ls_number_reflns         2398
_refine_ls_R_factor_gt           0.0316
_refine_ls_shift/su_max          0.0004
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w = 1/[\s^2^(Fo^2^) + (0.05000(Max(Fo^2^,0) + 2Fc^2^)/3)^2^]'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_ref         0.0776
_reflns_number_gt                2143
_reflns_number_total             2398
_reflns_threshold_expression     F^2^>2.0\s(F^2^)
_cod_data_source_file            ol035560ssi20030819_112429.cif
_cod_data_source_block           General
_cod_original_sg_symbol_Hall     'P 2ac 2ab  '
_cod_original_sg_symbol_H-M      'P 21 21 21   '
_cod_original_formula_sum        'C16 H23 N O4 '
_cod_database_code               1507382