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_7151829
_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 H18 O2 '
_chemical_formula_sum            'C15 H18 O2'
_chemical_formula_weight         230.31
_space_group_IT_number           2
_symmetry_cell_setting           triclinic
_symmetry_Int_Tables_number      2
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_cell_angle_alpha                82.616(11)
_cell_angle_beta                 76.245(9)
_cell_angle_gamma                83.941(14)
_cell_formula_units_Z            4
_cell_length_a                   8.3858(2)
_cell_length_b                   8.9432(4)
_cell_length_c                   16.6524(14)
_cell_measurement_reflns_used    1974
_cell_measurement_temperature    120.1
_cell_measurement_theta_max      27.5
_cell_measurement_theta_min      3.6
_cell_volume                     1199.33(13)
_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 0.980
_diffrn_measured_fraction_theta_max 0.460
_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  0.031
_diffrn_reflns_limit_h_max       10
_diffrn_reflns_limit_h_min       -10
_diffrn_reflns_limit_k_max       11
_diffrn_reflns_limit_k_min       -11
_diffrn_reflns_limit_l_max       21
_diffrn_reflns_limit_l_min       -21
_diffrn_reflns_number            35776
_diffrn_reflns_theta_full        27.50
_diffrn_reflns_theta_max         27.5
_exptl_absorpt_coefficient_mu    0.083
_exptl_absorpt_correction_T_max  0.980
_exptl_absorpt_correction_T_min  0.839
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details
;
Higashi, T. (1995). Program for Absorption Correction.
Rigaku Corporation, Tokyo, Japan.
;
_exptl_crystal_colour            colourless
_exptl_crystal_density_diffrn    1.275
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       needle
_exptl_crystal_F_000             496.00
_exptl_crystal_size_max          0.33
_exptl_crystal_size_mid          0.28
_exptl_crystal_size_min          0.25
_refine_diff_density_max         0.35
_refine_diff_density_min         -0.21
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.051
_refine_ls_hydrogen_treatment    refall
_refine_ls_number_parameters     343
_refine_ls_number_reflns         4302
_refine_ls_R_factor_gt           0.0442
_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)
6.9490 4.2069 5.2909
;
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_ref         0.0555
_reflns_number_gt                4302
_reflns_number_total             5403
_reflns_threshold_expression     F^2^>2.0\s(F^2^)
_cod_data_source_file            c0ob01152e.txt
_cod_data_source_block           '__JB8'
_cod_original_cell_volume        1199.33(12)
_cod_original_formula_sum        'C15 H18 O2 '
_cod_database_code               7151829