Vinylogous anionic processes in the formation and interconversion of tetracyclic ring systems.
Thornton, Paul D.; Cameron, T. Stanley; Burnell, D. Jean; Organic & biomolecular chemistry 9 (2011) 3447–3456; doi:10.1039/c0ob01152e

data_7151827
_publ_section_title
;
 Vinylogous anionic processes in the formation and interconversion of
 tetracyclic ring systems.
;
_journal_issue                   9
_journal_name_full               'Organic &amp; biomolecular chemistry'
_journal_page_first              3447
_journal_page_last               3456
_journal_paper_doi               10.1039/c0ob01152e
_journal_volume                  9
_journal_year                    2011
_chemical_formula_moiety         'C15 H20 O3 '
_chemical_formula_sum            'C15 H20 O3'
_chemical_formula_weight         248.32
_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                 105.921(3)
_cell_angle_gamma                90.0000
_cell_formula_units_Z            4
_cell_length_a                   11.2484(9)
_cell_length_b                   8.5765(5)
_cell_length_c                   12.9938(9)
_cell_measurement_reflns_used    4112
_cell_measurement_temperature    120.1
_cell_measurement_theta_max      72.3
_cell_measurement_theta_min      3.0
_cell_volume                     1205.45(15)
_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_detector_area_resol_mean 10.00
_diffrn_measured_fraction_theta_full 0.989
_diffrn_measured_fraction_theta_max 0.667
_diffrn_measurement_device_type  'Rigaku RAXIS-UNKNOWN'
_diffrn_measurement_method       \w
_diffrn_radiation_type           'Mo K\a'
_diffrn_radiation_wavelength     0.71070
_diffrn_reflns_av_R_equivalents  0.047
_diffrn_reflns_limit_h_max       29
_diffrn_reflns_limit_h_min       -14
_diffrn_reflns_limit_k_max       16
_diffrn_reflns_limit_k_min       -18
_diffrn_reflns_limit_l_max       26
_diffrn_reflns_limit_l_min       -34
_diffrn_reflns_number            54710
_diffrn_reflns_theta_full        30.00
_diffrn_reflns_theta_max         72.33
_exptl_absorpt_coefficient_mu    0.094
_exptl_absorpt_correction_T_max  0.994
_exptl_absorpt_correction_T_min  0.848
_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    1.368
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       plate
_exptl_crystal_F_000             536.00
_exptl_crystal_size_max          0.23
_exptl_crystal_size_mid          0.22
_exptl_crystal_size_min          0.06
_refine_diff_density_max         0.34
_refine_diff_density_min         -0.17
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.014
_refine_ls_hydrogen_treatment    refU
_refine_ls_number_parameters     183
_refine_ls_number_reflns         2825
_refine_ls_R_factor_gt           0.0364
_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)
8.7438 -0.7498 7.1527
;
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_ref         0.0452
_reflns_number_gt                2825
_reflns_number_total             3472
_reflns_threshold_expression     F^2^>2.0\s(F^2^)
_cod_data_source_file            c0ob01152e.txt
_cod_data_source_block           '__654_1JB18'
_cod_original_formula_sum        'C15 H20 O3 '
_cod_database_code               7151827