Model Studies toward the Total Synthesis of theLycopodiumAlkaloid Spirolucidine
Comins, Daniel L.; Williams, Alfred L.; Organic Letters 3 (2001) 3217–; doi:10.1021/ol016556o

data_1507530
_publ_section_title
;
 Model Studies toward the Total Synthesis of theLycopodiumAlkaloid
 Spirolucidine
;
_journal_issue                   20
_journal_name_full               'Organic Letters'
_journal_page_first              3217
_journal_paper_doi               10.1021/ol016556o
_journal_volume                  3
_journal_year                    2001
_chemical_formula_moiety         'C30 H34 N2 O5 '
_chemical_formula_sum            'C30 H34 N2 O5'
_chemical_formula_weight         502.60
_chemical_name_systematic
;
  phenyl (5S^*^,7^*^,10S^*^)-6,13-diaza-3-hydroxy-5-(2-methylpropyl)-13-
  (phenoxycarbonyl)-pentacyclo[8.2.2.0^1,3^.0^2,7^.0^7,12^]tetradecane-
  6-carboxylate
;
_space_group_IT_number           14
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-P 2yn'
_symmetry_space_group_name_H-M   'P 1 21/n 1'
_cell_angle_alpha                90.0
_cell_angle_beta                 92.877(13)
_cell_angle_gamma                90.0
_cell_formula_units_Z            4
_cell_length_a                   12.5856(12)
_cell_length_b                   9.9628(15)
_cell_length_c                   20.218(2)
_cell_measurement_reflns_used    25
_cell_measurement_temperature    148
_cell_measurement_theta_max      17.50
_cell_measurement_theta_min      10.00
_cell_volume                     2531.9(5)
_computing_cell_refinement       'Nonius CAD4 Argus'
_computing_data_collection       'Nonius CAD4 Argus'
_computing_data_reduction        'NRCVAX DATRD2'
_computing_molecular_graphics    NRCVAX
_computing_publication_material  'NRCVAX TABLES Jan 94 Version'
_computing_structure_refinement  'NRCVAX LSTSQ'
_computing_structure_solution    SIR92
_diffrn_ambient_temperature      148
_diffrn_measurement_device       'Nonius CAD-4    '
_diffrn_measurement_method       'Omega scan b/P/b        '
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'xray tube'
_diffrn_radiation_type           'Molybdenum K\a'
_diffrn_radiation_wavelength     .71073
_diffrn_reflns_av_R_equivalents  .000
_diffrn_reflns_limit_h_max       14
_diffrn_reflns_limit_h_min       -14
_diffrn_reflns_limit_k_max       11
_diffrn_reflns_limit_k_min       0
_diffrn_reflns_limit_l_max       23
_diffrn_reflns_limit_l_min       0
_diffrn_reflns_number            4394
_diffrn_reflns_theta_max         25.00
_diffrn_reflns_theta_min         0.00
_diffrn_standards_decay_%        .9
_diffrn_standards_interval_time  80
_diffrn_standards_number         3
_exptl_absorpt_coefficient_mu    .09
_exptl_absorpt_correction_T_max  1.0000
_exptl_absorpt_correction_T_min  1.0000
_exptl_absorpt_correction_type   none
_exptl_crystal_colour            colourless
_exptl_crystal_density_diffrn    1.319
_exptl_crystal_description       'cut rectangular prism'
_exptl_crystal_F_000             1072.66
_exptl_crystal_size_max          .30
_exptl_crystal_size_mid          .15
_exptl_crystal_size_min          .15
_refine_diff_density_max         .28
_refine_diff_density_min         -.29
_refine_ls_extinction_coef       280(40)
_refine_ls_extinction_method     Larson
_refine_ls_goodness_of_fit_ref   1.25
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     339
_refine_ls_number_reflns         2782
_refine_ls_R_factor_all          .055
_refine_ls_R_factor_gt           .054
_refine_ls_shift/su_max          .001
_refine_ls_structure_factor_coef F
_refine_ls_weighting_details     '1/(\s^2^(F)+ .0005F^2^)'
_refine_ls_weighting_scheme      sigma
_refine_ls_wR_factor_all         .052
_refine_ls_wR_factor_ref         .051
_reflns_number_gt                2792
_reflns_number_total             4394
_reflns_threshold_expression     'Inet > 1.0\s(Inet)'
_cod_data_source_file            ol016556o_s2.cif
_cod_data_source_block           16
_cod_original_sg_symbol_H-M      'P 21/n'
_cod_original_formula_sum        'C30 H34 N2 O5 '
_cod_database_code               1507530