Nazarov reactions intercepted by (4 + 3) cycloadditions with oxygen-substituted dienes.
LeFort, François M; Mishra, Vinayak; Dexter, Graham D.; Morgan, Timothy D. R.; Burnell, D. Jean; The Journal of organic chemistry 80 (2015) 5877–5886; doi:10.1021/acs.joc.5b00914

data_4031025
_publ_section_title
;
 Nazarov reactions intercepted by (4 + 3) cycloadditions with
 oxygen-substituted dienes.
;
_journal_issue                   11
_journal_name_full               'The Journal of organic chemistry'
_journal_page_first              5877
_journal_page_last               5886
_journal_paper_doi               10.1021/acs.joc.5b00914
_journal_volume                  80
_journal_year                    2015
_chemical_formula_moiety         'C26 H38 O2 Si '
_chemical_formula_sum            'C26 H38 O2 Si'
_chemical_formula_weight         410.67
_chemical_melting_point          168
_space_group_IT_number           14
_symmetry_cell_setting           monoclinic
_symmetry_Int_Tables_number      14
_symmetry_space_group_name_Hall  '-P 2ybc'
_symmetry_space_group_name_H-M   'P 1 21/c 1'
_cell_angle_alpha                90.0000
_cell_angle_beta                 97.899(3)
_cell_angle_gamma                90.0000
_cell_formula_units_Z            4
_cell_length_a                   10.3117(5)
_cell_length_b                   11.9449(7)
_cell_length_c                   20.2093(13)
_cell_measurement_reflns_used    10868
_cell_measurement_temperature    296.0
_cell_measurement_theta_max      25.0
_cell_measurement_theta_min      2.0
_cell_volume                     2465.6(2)
_computing_cell_refinement       PROCESS
_computing_data_collection       PROCESS
_computing_data_reduction        CrystalStructure
_computing_publication_material  'CrystalStructure 3.8'
_computing_structure_refinement  CRYSTALS
_computing_structure_solution    SHELXS97
_diffrn_ambient_temperature      296.0
_diffrn_detector_area_resol_mean 10.00
_diffrn_measured_fraction_theta_full 0.993
_diffrn_measured_fraction_theta_max 0.853
_diffrn_measurement_device_type  'Rigaku RAXIS-UNKNOWN'
_diffrn_measurement_method       \w
_diffrn_radiation_type           'Mo K\a'
_diffrn_radiation_wavelength     0.71075
_diffrn_reflns_av_R_equivalents  0.095
_diffrn_reflns_limit_h_max       16
_diffrn_reflns_limit_h_min       -16
_diffrn_reflns_limit_k_max       19
_diffrn_reflns_limit_k_min       -19
_diffrn_reflns_limit_l_max       32
_diffrn_reflns_limit_l_min       -27
_diffrn_reflns_number            23846
_diffrn_reflns_theta_full        28.00
_diffrn_reflns_theta_max         34.97
_exptl_absorpt_coefficient_mu    0.113
_exptl_absorpt_correction_T_max  0.979
_exptl_absorpt_correction_T_min  0.338
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details
;

    Higashi, T. (1995). Program for Absorption Correction.

    Rigaku Corporation, Tokyo, Japan.

;
_exptl_crystal_colour            colorless
_exptl_crystal_density_diffrn    1.106
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       prism
_exptl_crystal_F_000             896.00
_exptl_crystal_size_max          0.31
_exptl_crystal_size_mid          0.27
_exptl_crystal_size_min          0.19
_refine_diff_density_max         0.20
_refine_diff_density_min         -0.20
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.077
_refine_ls_hydrogen_treatment    refall
_refine_ls_number_parameters     262
_refine_ls_number_reflns         2127
_refine_ls_R_factor_gt           0.0579
_refine_ls_shift/su_max          0.0000
_refine_ls_structure_factor_coef F
_refine_ls_weighting_details
;

    Chebychev polynomial with 3 parameters (Carruthers & Watkin, 1979)

    22.3484    -1.4629    19.3108

;
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_ref         0.0699
_reflns_number_gt                2127
_reflns_number_total             5923
_reflns_threshold_expression     F^2^>2.0\s(F^2^)
_cod_data_source_file            jo5b00914_si_003.cif
_cod_data_source_block           '__Franc1'
_cod_depositor_comments
'Adding full bibliography for 4031025--4031026.cif.'
_cod_original_formula_sum        'C26 H38 O2 Si '
_cod_database_code               4031025