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_1507531
_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 (1S^*^,3S^*^,10S^*^)-2,8-diaza-3-(2-methylpropyl)-5-oxo-8-
  (phenoxycarbonyl)-tetracyclo[8.2.2.0^1,6^.0^7,12^]tetradecane-2-
  carboxylate
;
_space_group_IT_number           2
_symmetry_cell_setting           triclinic
_symmetry_space_group_name_Hall  '-P 1'
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_cell_angle_alpha                100.945(6)
_cell_angle_beta                 94.908(6)
_cell_angle_gamma                97.909(4)
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_cell_length_b                   9.7050(4)
_cell_length_c                   16.1393(8)
_cell_measurement_reflns_used    25
_cell_measurement_temperature    148
_cell_measurement_theta_max      18.00
_cell_measurement_theta_min      16.50
_cell_volume                     1310.08(11)
_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  .010
_diffrn_reflns_limit_h_max       11
_diffrn_reflns_limit_h_min       -12
_diffrn_reflns_limit_k_max       13
_diffrn_reflns_limit_k_min       0
_diffrn_reflns_limit_l_max       22
_diffrn_reflns_limit_l_min       -22
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_diffrn_reflns_theta_max         30.00
_diffrn_reflns_theta_min         0.00
_diffrn_standards_decay_%        2.3
_diffrn_standards_interval_time  80
_diffrn_standards_number         3
_exptl_absorpt_coefficient_mu    .09
_exptl_absorpt_correction_type   none
_exptl_crystal_colour            colorless
_exptl_crystal_density_diffrn    1.274
_exptl_crystal_description       'cut prism'
_exptl_crystal_F_000             536.33
_exptl_crystal_size_max          .40
_exptl_crystal_size_mid          .40
_exptl_crystal_size_min          .30
_refine_diff_density_max         .33
_refine_diff_density_min         -.23
_refine_ls_extinction_method     none
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_refine_ls_number_reflns         6191
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_refine_ls_R_factor_gt           .039
_refine_ls_shift/su_max          .001
_refine_ls_structure_factor_coef F
_refine_ls_weighting_details     '1/(\s^2^(F)+ .0003F^2^) '
_refine_ls_weighting_scheme      sigma
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_refine_ls_wR_factor_ref         .049
_reflns_number_gt                6197
_reflns_number_total             7559
_reflns_threshold_expression     'Inet > 1.0\s(Inet)'
_cod_data_source_file            ol016556o_s2.cif
_cod_data_source_block           17
_cod_depositor_comments
;
The following automatic conversions were performed:

'_symmetry_cell_setting' value 'Triclinic' changed to 'triclinic'
according to /home/saulius/struct/CIF-dictionaries/cif_core.dic
dictionary named 'cif_core.dic' version 2.4.2 from 2011-04-26.

Automatic conversion script
Id: cif_fix_values 1715 2011-07-08 13:25:40Z adriana 
;
_cod_original_cell_volume        1310.08(10)
_cod_original_formula_sum        'C30 H34 N2 O5 '
_cod_database_code               1507531