(1<i>R</i>*,2<i>R</i>*,4<i>S</i>*,5<i>R</i>*,6<i>R</i>*,8<i>S</i>*)-4,8-Dimethyl-2,6-diphenylbicyclo[3.3.1]nonane-2,6-diol
Nguyen, Vi T.; Bishop, Roger; Craig, Donald C.; Scudder, Marcia L.; Acta Crystallographica Section E 65 (2009) o886–; doi:10.1107/S1600536809009933

data_2221421
_publ_section_title
(1<i>R</i>*,2<i>R</i>*,4<i>S</i>*,5<i>R</i>*,6<i>R</i>*,8<i>S</i>*)-4,8-Dimethyl-2,6-diphenylbicyclo[3.3.1]nonane-2,6-diol
_journal_coeditor_code           KP2208
_journal_issue                   4
_journal_name_full               'Acta Crystallographica Section E'
_journal_page_first              o886
_journal_paper_doi               10.1107/S1600536809009933
_journal_volume                  65
_journal_year                    2009
_chemical_formula_iupac          'C23 H28 O2'
_chemical_formula_moiety         'C23 H28 O2'
_chemical_formula_sum            'C23 H28 O2'
_chemical_formula_weight         336.5
_chemical_name_systematic
;
(1<i>R</i>*,2<i>R</i>*,4<i>S</i>*,5<i>R</i>*,6<i>R</i>*,8<i>S</i>*)-
4,8-Dimethyl-2,6-diphenylbicyclo[3.3.1]nonane-2,6-diol
;
_space_group_IT_number           15
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-C 2yc'
_symmetry_space_group_name_H-M   'C 1 2/c 1'
_atom_type_scat_source
'International Tables for X-ray Crystallography, Vol. IV'
_cell_angle_alpha                90
_cell_angle_beta                 92.920(10)
_cell_angle_gamma                90
_cell_formula_units_Z            8
_cell_length_a                   18.462(4)
_cell_length_b                   13.3100(10)
_cell_length_c                   14.824(3)
_cell_measurement_reflns_used    10
_cell_measurement_temperature    294
_cell_measurement_theta_max      23
_cell_measurement_theta_min      20
_cell_volume                     3638.0(11)
_computing_cell_refinement       'CAD-4 Manual (Schagen <i>et al.</i>,  1989)'
_computing_data_collection       'CAD-4 Manual (Schagen <i>et al.</i>,  1989)'
_computing_data_reduction        'local program'
_computing_molecular_graphics
;
ORTEP-3 (Farrugia, 1997) and CrystalMaker (CrystalMaker, 2005)
;
_computing_publication_material  'local programs'
_computing_structure_refinement  'RAELS (Rae, 2000)'
_computing_structure_solution    'SIR92 (Altomare <i>et al.</i>,  1994)'
_diffrn_measured_fraction_theta_full 1.00
_diffrn_measured_fraction_theta_max 1.00
_diffrn_measurement_device_type  'Enraf--Nonius CAD-4'
_diffrn_measurement_method       \w--2\q
_diffrn_radiation_type           'Cu K\a'
_diffrn_radiation_wavelength     1.54184
_diffrn_reflns_av_R_equivalents  0.034
_diffrn_reflns_limit_h_max       22
_diffrn_reflns_limit_h_min       -22
_diffrn_reflns_limit_k_max       16
_diffrn_reflns_limit_k_min       0
_diffrn_reflns_limit_l_max       0
_diffrn_reflns_limit_l_min       -18
_diffrn_reflns_number            3585
_diffrn_reflns_theta_full        70
_diffrn_reflns_theta_max         70
_diffrn_standards_decay_%        4
_diffrn_standards_interval_time  30
_diffrn_standards_number         1
_exptl_absorpt_coefficient_mu    0.593
_exptl_absorpt_correction_type   none
_exptl_crystal_colour            colourless
_exptl_crystal_density_diffrn    1.23
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       prism
_exptl_crystal_F_000             1456.0
_exptl_crystal_size_max          0.30
_exptl_crystal_size_mid          0.15
_exptl_crystal_size_min          0.12
_refine_diff_density_max         0.31
_refine_diff_density_min         -0.34
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.59
_refine_ls_hydrogen_treatment    noref
_refine_ls_number_parameters     160
_refine_ls_number_reflns         3442
_refine_ls_number_restraints     0
_refine_ls_R_factor_gt           0.045
_refine_ls_shift/su_max          0.004
_refine_ls_structure_factor_coef F
_refine_ls_weighting_details     'w = 1/[\s^2^(F) + 0.0004F^2^]'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_ref         0.062
_reflns_number_gt                2292
_reflns_number_total             3442
_reflns_threshold_expression     I>2\s(I)
_cod_data_source_file            kp2208.cif
_cod_data_source_block           I
_cod_original_cell_volume        3638.0(10)
_cod_original_sg_symbol_H-M      'C 2/c'
_cod_database_code               2221421
_cod_database_fobs_code          2221421