An enantioselective double Diels?Alder approach to the tetracyclic framework of colombiasin AElectronic supplementary information (ESI) available: Detailed procedures for the preparation of all compounds and their spectral data. See http://www.rsc.org/suppdata/ob/b3/b302522e/
Chaplin, Jason H.; Edwards, Alison J.; Flynn, Bernard L.; Organic & Biomolecular Chemistry 1 (2003) 1842–; doi:10.1039/b302522e

data_7151417
_publ_section_title
;
 An enantioselective double Diels?Alder approach to the tetracyclic
 framework of colombiasin AElectronic supplementary information (ESI)
 available: Detailed procedures for the preparation of all compounds
 and their spectral data. See
 http://www.rsc.org/suppdata/ob/b3/b302522e/
;
_journal_issue                   11
_journal_name_full               'Organic &amp;  Biomolecular Chemistry'
_journal_page_first              1842
_journal_paper_doi               10.1039/b302522e
_journal_volume                  1
_journal_year                    2003
_chemical_compound_source        'Local laboratory'
_chemical_formula_moiety         'C27 H34 O3 Si '
_chemical_formula_sum            'C27 H34 O3 Si'
_chemical_formula_weight         434.652
_chemical_name_systematic
;
?
;
_space_group_IT_number           14
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-P 2yab'
_symmetry_space_group_name_H-M   'P 1 21/a 1'
_audit_creation_date             01-23-08
_audit_creation_method           'maXus +CRYSTALS_ver_12-03-99'
_cell_angle_alpha                90.00
_cell_angle_beta                 111.0549(8)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   12.9389(2)
_cell_length_b                   11.7515(3)
_cell_length_c                   16.9570(4)
_cell_measurement_reflns_used    34347
_cell_measurement_temperature    200
_cell_measurement_theta_max      3.08
_cell_measurement_theta_min      27.45
_cell_volume                     2406.20(9)
_computing_cell_refinement       'HKL Scalepack (Otwinowski & Minor 1997)'
_computing_data_collection       KappaCCD
_computing_data_reduction
'Denzo and Scalepak (Otwinowski & Minor, 1997)'
_computing_molecular_graphics
; 
CAMERON (Watkin et al 1996) 
;
_computing_publication_material
; 
CRYSTALS (Watkin et al 2001) + maXus(Mackay et al., 1999)
;
_computing_structure_refinement
; 
CRYSTALS (Watkin et al 2001) 
;
_computing_structure_solution
; 
SIR92 (Altomare et al, 1994) 
;
_diffrn_measured_fraction_theta_max 0.997
_diffrn_measurement_device       KappaCCD
_diffrn_measurement_method       CCD
_diffrn_orient_matrix_type       X=UH
_diffrn_orient_matrix_UB_11      -0.07036
_diffrn_orient_matrix_UB_12      0.03721
_diffrn_orient_matrix_UB_13      0.02287
_diffrn_orient_matrix_UB_21      -0.02732
_diffrn_orient_matrix_UB_22      -0.00215
_diffrn_orient_matrix_UB_23      -0.08056
_diffrn_orient_matrix_UB_31      -0.04397
_diffrn_orient_matrix_UB_32      -0.04246
_diffrn_orient_matrix_UB_33      0.01604
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_type           ' MoK\a'
_diffrn_radiation_wavelength_id  all
_diffrn_reflns_av_R_equivalents  0.064
_diffrn_reflns_limit_h_max       15
_diffrn_reflns_limit_h_min       -16
_diffrn_reflns_limit_k_max       15
_diffrn_reflns_limit_k_min       -15
_diffrn_reflns_limit_l_max       22
_diffrn_reflns_limit_l_min       -22
_diffrn_reflns_number            64739
_diffrn_reflns_theta_full        27.46
_diffrn_reflns_theta_max         27.46
_diffrn_reflns_theta_min         3.06
_exptl_absorpt_coefficient_mu    0.123
_exptl_absorpt_correction_T_max  0.957
_exptl_absorpt_correction_T_min  0.922
_exptl_absorpt_correction_type   integration
_exptl_absorpt_process_details
;
Gaussian integration (Coppens, 1970)
;
_exptl_crystal_colour            Colourless
_exptl_crystal_density_diffrn    1.200
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       prism
_exptl_crystal_F_000             936
_exptl_crystal_size_max          0.60
_exptl_crystal_size_mid          0.56
_exptl_crystal_size_min          0.50
_refine_diff_density_max         0.21
_refine_diff_density_min         -0.23
_refine_ls_extinction_method     None
_refine_ls_goodness_of_fit_ref   1.0528
_refine_ls_hydrogen_treatment    refU
_refine_ls_matrix_type           full
_refine_ls_number_parameters     314
_refine_ls_number_reflns         3445
_refine_ls_R_factor_gt           0.0349
_refine_ls_shift/su_max          0.000590
_refine_ls_structure_factor_coef F
_refine_ls_weighting_details
;
Chebychev polynomial with 3 parameters, Carruthers & Watkin , 1979, 
1.22    0.650    0.526    
;
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_ref         0.0409
_reflns_d_resolution_high        0.62
_reflns_d_resolution_low         1.82
_reflns_limit_h_max              15
_reflns_limit_h_min              -16
_reflns_limit_k_max              15
_reflns_limit_k_min              0
_reflns_limit_l_max              22
_reflns_limit_l_min              0
_reflns_number_gt                3445
_reflns_number_total             5633
_reflns_threshold_expression     >3.00\s(I)
_cod_data_source_file            b302522e.txt
_cod_data_source_block           bfjc3z
_cod_depositor_comments
;
The following automatic conversions were performed:
'_symmetry_cell_setting' value 'Monoclinic' changed to 'monoclinic'
according to '/home/saulius/struct/CIF-dictionaries/cif_core.dic'
dictionary named 'cif_core.dic' version 2.4.1 from 2010-06-29.

Automatic conversion script
Id: cif_fix_enum 1527 2010-12-29 10:47:43Z saulius 
;
_cod_original_sg_symbol_H-M      'P 21/a        '
_cod_original_formula_sum        'C27 H34 O3 Si '
_cod_database_code               7151417