Tricyclo[9.3.0.0^3,7^]tetradec-3-ene-5,10-dione (I), tetracyclo[9.3.0.0^1,5^.0^5,9^]tetradecane-2,7-dione (II) and <i>cis</i>-<i>cisoid</i>-<i>cis</i>-2,9-epoxy-9-methyltricyclo[9.3.0.0^4,8^]tetradecan-2-ol (III)
Kawata, T.; Okuda, M.; Ohba, S.; Umehara, M.; Honnami, H.; Hishida, S.; Acta Crystallographica Section C 49 (1993) 410–413; doi:10.1107/S0108270192009491

data_2002021
_publ_section_title
;Tricyclo[9.3.0.0^3,7^]tetradec-3-ene-5,10-dione (I),
 tetracyclo[9.3.0.0^1,5^.0^5,9^]tetradecane-2,7-dione (II) and
 <i>cis</i>-<i>cisoid</i>-<i>cis</i>-2,9-epoxy-9-methyltricyclo[9.3.0.0^4,8^]tetradecan-2-ol
 (III)
;
_journal_issue                   2
_journal_name_full               'Acta Crystallographica Section C'
_journal_page_first              410
_journal_page_last               413
_journal_paper_doi               10.1107/S0108270192009491
_journal_volume                  49
_journal_year                    1993
_chemical_formula_sum            'C14 H18 O2'
_chemical_formula_weight         218.3
_space_group_IT_number           2
_space_group_name_Hall           '-P 1'
_space_group_name_H-M_alt        'P -1'
_symmetry_cell_setting           triclinic
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_atom_type_scat_source           IntTabIV
_cell_angle_alpha                102.900(10)
_cell_angle_beta                 91.170(10)
_cell_angle_gamma                81.140(10)
_cell_formula_units_Z            2
_cell_length_a                   9.8940(10)
_cell_length_b                   10.971(2)
_cell_length_c                   5.6580(10)
_cell_measurement_reflns_used    40
_cell_measurement_temperature    298(2)
_cell_measurement_theta_max      15
_cell_measurement_theta_min      10
_cell_volume                     591.45(16)
_diffrn_measurement_device       'Rigaku AFC-5 four-circle'
_diffrn_measurement_method       \q-2\q
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.009
_diffrn_reflns_limit_h_max       0
_diffrn_reflns_limit_h_min       -12
_diffrn_reflns_limit_k_max       14
_diffrn_reflns_limit_k_min       -14
_diffrn_reflns_limit_l_max       7
_diffrn_reflns_limit_l_min       -7
_diffrn_reflns_number            2880
_diffrn_reflns_theta_max         27.5
_diffrn_standards_decay_%        0.988-1.012
_diffrn_standards_interval_count 100
_diffrn_standards_number         5
_exptl_absorpt_coefficient_mu    0.075
_exptl_absorpt_correction_T_max  0.991
_exptl_absorpt_correction_T_min  0.978
_exptl_absorpt_correction_type   integration
_exptl_crystal_colour            Colourless
_exptl_crystal_density_diffrn    1.226
_exptl_crystal_description       Prism
_exptl_crystal_size_max          0.50
_exptl_crystal_size_mid          0.30
_exptl_crystal_size_min          0.10
_refine_diff_density_max         0.13
_refine_diff_density_min         -0.15
_refine_ls_goodness_of_fit_obs   1.79
_refine_ls_hydrogen_treatment    refall
_refine_ls_number_parameters     218
_refine_ls_number_reflns         1501
_refine_ls_R_factor_obs          0.044
_refine_ls_shift/esd_max         0.109
_refine_ls_structure_factor_coef F
_refine_ls_weighting_details     'w = [\s^2^|F~o~|+(0.015|F~o~|)^2^]^-1^'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_obs         0.047
_reflns_number_observed          1501
_reflns_number_total             2720
_reflns_observed_criterion       |F~o~|>3\s|F~o~|
_cod_data_source_file            as1019.cif
_cod_data_source_block           as1019_structure_1_of_3
_cod_depositor_comments
;
The following automatic conversions were performed:

'_refine_ls_weighting_scheme' value
'[\s^2^|F~o~|+(0.015|F~o~|)^2^]^-1^' was changed to 'calc'. New tag
'_refine_ls_weighting_details' was created. The value of the new tag
was set to 'w = [\s^2^|F~o~|+(0.015|F~o~|)^2^]^-1^'.

Automatic conversion script
Id: cif_fix_values 3143 2015-03-26 13:38:13Z robertas 
;
_cod_original_cell_volume        591.50(10)
_cod_database_code               2002021