2,7,9-Trimethyl-8-oxatetracyclo[5.4.1.1^3,10^.0^5,9^]tridecan-<i>endo</i>-2-ol
Yue, Weimin; Bishop, Roger; Craig, Donald C.; Scudder, Marcia L.; Acta Crystallographica Section E 63 (2007) o4689–o4689; doi:10.1107/S1600536807054207

data_2216619
_publ_section_title
2,7,9-Trimethyl-8-oxatetracyclo[5.4.1.1^3,10^.0^5,9^]tridecan-<i>endo</i>-2-ol
_journal_coeditor_code           LH2534
_journal_issue                   12
_journal_name_full               'Acta Crystallographica Section E'
_journal_page_first              o4689
_journal_page_last               o4689
_journal_paper_doi               10.1107/S1600536807054207
_journal_volume                  63
_journal_year                    2007
_chemical_formula_iupac          'C15 H24 O2'
_chemical_formula_moiety         'C15 H24 O2'
_chemical_formula_sum            'C15 H24 O2'
_chemical_formula_weight         236.4
_chemical_name_systematic
2,7,9-Trimethyl-8-oxatetracyclo[5.4.1.1^3,10^.0^5,9^]tridecan-<i>endo</i>-2-ol
_space_group_crystal_system      monoclinic
_space_group_name_H-M_alt        'P 1 21/c 1'
_symmetry_space_group_name_Hall  '-P 2ybc'
_atom_type_scat_source
'International Tables for X-ray Crystallography, Vol. IV'
_cell_angle_alpha                90
_cell_angle_beta                 113.310(10)
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   7.0910(10)
_cell_length_b                   12.465(2)
_cell_length_c                   15.842(3)
_cell_measurement_reflns_used    11
_cell_measurement_temperature    294
_cell_measurement_theta_max      30
_cell_measurement_theta_min      25
_cell_volume                     1286.0(4)
_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  0.024
_diffrn_reflns_limit_h_max       0
_diffrn_reflns_limit_h_min       -8
_diffrn_reflns_limit_k_max       15
_diffrn_reflns_limit_k_min       0
_diffrn_reflns_limit_l_max       19
_diffrn_reflns_limit_l_min       -19
_diffrn_reflns_number            2614
_diffrn_reflns_theta_full        70
_diffrn_reflns_theta_max         70
_diffrn_standards_decay_%        10
_diffrn_standards_interval_time  30
_diffrn_standards_number         1
_exptl_absorpt_coefficient_mu    0.615
_exptl_absorpt_correction_T_max  0.94
_exptl_absorpt_correction_T_min  0.86
_exptl_absorpt_correction_type   analytical
_exptl_absorpt_process_details   '(de Meulenaer & Tompa, 1965)'
_exptl_crystal_colour            colourless
_exptl_crystal_density_diffrn    1.22
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       prism
_exptl_crystal_F_000             520.0
_exptl_crystal_size_max          0.46
_exptl_crystal_size_mid          0.13
_exptl_crystal_size_min          0.12
_refine_diff_density_max         0.24
_refine_diff_density_min         -0.19
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.87
_refine_ls_hydrogen_treatment    constr
_refine_ls_number_parameters     155
_refine_ls_number_reflns         1989
_refine_ls_number_restraints     0
_refine_ls_R_factor_gt           0.041
_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         0.067
_reflns_number_gt                1989
_reflns_number_total             2418
_reflns_threshold_expression     I>2\s(I)
_cod_data_source_file            lh2534.cif
_cod_data_source_block           I
_cod_database_code               2216619
_cod_database_fobs_code          2216619