(±)-7,7,9β-Trimethyl-6(αH)-cis-tricyclo[6.3.1.0^1,6^]dodecan-2-one
Mukherjee, Monika; Mukherjee, Alok K.; Das, Sarbani; Mukherjee, Debabrata; Helliwell, Madeleine; Acta Crystallographica, Section C: Crystal Structure Communications 51 (1995) 280–282; doi:10.1107/S0108270194008632

data_2003208
_publ_section_title
;
 (+-)-7,7,9\b-Trimethyl-6(\aH)-cis-tricyclo[6.3.1.0^1,6^]dodecan-2-one
;
_journal_coden_ASTM              ACSCEE
_journal_issue                   2
_journal_name_full
;
 Acta Crystallographica, Section C: Crystal Structure Communications
;
_journal_page_first              280
_journal_page_last               282
_journal_paper_doi               10.1107/S0108270194008632
_journal_volume                  51
_journal_year                    1995
_chemical_formula_moiety         'C15 H24 O'
_chemical_formula_sum            'C15 H24 O'
_chemical_formula_weight         220.34
_space_group_IT_number           19
_symmetry_space_group_name_Hall  'P 2ac 2ab'
_symmetry_space_group_name_H-M   'P 21 21 21'
_cell_angle_alpha                90.00(3)
_cell_angle_beta                 90.00(3)
_cell_angle_gamma                90.00(3)
_cell_formula_units_Z            4
_cell_length_a                   9.958(3)
_cell_length_b                   9.961(4)
_cell_length_c                   12.978(6)
_cell_measurement_reflns_used    20
_cell_measurement_temperature    294(2)
_cell_measurement_theta_max      20
_cell_measurement_theta_min      10
_cell_volume                     1287.3(9)
_diffrn_measurement_device       'AFC-5 diffractometer'
_diffrn_measurement_method       2\q-\w
_diffrn_radiation_type           'Cu K\a'
_diffrn_radiation_wavelength     1.5418
_diffrn_reflns_av_R_equivalents  ?
_diffrn_reflns_limit_h_max       11
_diffrn_reflns_limit_h_min       0
_diffrn_reflns_limit_k_max       11
_diffrn_reflns_limit_k_min       0
_diffrn_reflns_limit_l_max       14
_diffrn_reflns_limit_l_min       0
_diffrn_reflns_number            1111
_diffrn_reflns_theta_max         59.94
_diffrn_standards_decay_%        4.8
_diffrn_standards_interval_count 150
_diffrn_standards_number         3
_exptl_absorpt_coefficient_mu    0.518
_exptl_absorpt_correction_T_max  1.000
_exptl_absorpt_correction_T_min  0.895
_exptl_absorpt_correction_type   empirical
_exptl_crystal_colour            colourless
_exptl_crystal_density_diffrn    1.137
_exptl_crystal_description       block
_exptl_crystal_size_max          0.5
_exptl_crystal_size_mid          0.5
_exptl_crystal_size_min          0.25
_refine_diff_density_max         0.16
_refine_diff_density_min         -0.22
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_all   0.874
_refine_ls_goodness_of_fit_obs   0.841
_refine_ls_hydrogen_treatment    iso
_refine_ls_number_parameters     241
_refine_ls_number_reflns         1111
_refine_ls_R_factor_obs          0.0502
_refine_ls_shift/esd_max         0.19
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_scheme
; calc w = 1/[\s^2^(F~o~^2^)+(0.1095P)^2^+0.4469P]
where P = (F~o~^2^+2F~c~^2^)/3
;
_refine_ls_wR_factor_all         0.1312
_refine_ls_wR_factor_obs         0.1217
_reflns_number_observed          1049
_reflns_number_total             1111
_reflns_observed_criterion       >2\s(I)
_cod_database_code               2003208