Novel concise ring closure leading to bridged ten-membered ring compounds
Fujishima, Hiroshi; Takeshita, Hiroshi; Toyota, Masahiro; Ihara, Masataka; Chemical Communications  (1999) 893–; doi:10.1039/a901392j

data_7110496
_publ_section_title
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 Novel concise ring closure leading to bridged ten-membered ring compounds
;
_journal_issue                   10
_journal_name_full               'Chemical Communications'
_journal_page_first              893
_journal_paper_doi               10.1039/a901392j
_journal_year                    1999
_chemical_formula_moiety         'C16 H24 O2 '
_chemical_formula_sum            'C16 H24 O2'
_chemical_formula_weight         248.36
_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'
_audit_creation_date             'Tue Feb 23 13:04:42 1999'
_audit_creation_method           'from TEXRAY.INF file'
_cell_angle_alpha                96.66(1)
_cell_angle_beta                 109.31(1)
_cell_angle_gamma                99.48(1)
_cell_formula_units_Z            2
_cell_length_a                   7.641(1)
_cell_length_b                   15.890(3)
_cell_length_c                   6.3477(9)
_cell_measurement_reflns_used    25
_cell_measurement_temperature    150.2
_cell_measurement_theta_max      26.8
_cell_measurement_theta_min      22.0
_cell_volume                     705.3(2)
_computing_cell_refinement       'MSC/AFC Diffractometer Control'
_computing_data_collection       'MSC/AFC Diffractometer Control'
_computing_data_reduction        teXsan
_computing_publication_material  teXsan
_computing_structure_refinement  teXsan
_diffrn_ambient_temperature      150.15
_diffrn_measurement_device_type  'Rigaku AFC5R'
_diffrn_measurement_method       \w-2\q
_diffrn_orient_matrix_UB_11      -0.12513
_diffrn_orient_matrix_UB_12      -0.03047
_diffrn_orient_matrix_UB_13      -0.11813
_diffrn_orient_matrix_UB_21      0.03074
_diffrn_orient_matrix_UB_22      -0.05730
_diffrn_orient_matrix_UB_23      0.02950
_diffrn_orient_matrix_UB_31      -0.05978
_diffrn_orient_matrix_UB_32      0.00092
_diffrn_orient_matrix_UB_33      0.11835
_diffrn_radiation_detector       'scintillation counter'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'Rigaku rotating anode'
_diffrn_radiation_type           'Mo K\a'
_diffrn_radiation_wavelength     0.7107
_diffrn_reflns_av_R_equivalents  0.022
_diffrn_reflns_av_sigmaI/netI    0.043
_diffrn_reflns_limit_h_max       9
_diffrn_reflns_limit_h_min       0
_diffrn_reflns_limit_k_max       20
_diffrn_reflns_limit_k_min       -20
_diffrn_reflns_limit_l_max       7
_diffrn_reflns_limit_l_min       -8
_diffrn_reflns_number            3480
_diffrn_reflns_reduction_process 'Lp corrections applied'
_diffrn_reflns_theta_max         27.49
_diffrn_reflns_theta_min         2.64
_diffrn_standards_decay_%        -0.93
_diffrn_standards_interval_count 150
_diffrn_standards_number         3
_exptl_absorpt_coefficient_mu    0.075
_exptl_absorpt_correction_T_max  0.999
_exptl_absorpt_correction_T_min  0.943
_exptl_absorpt_correction_type   psi-scan
_exptl_absorpt_process_details   '(North, Phillips & Mathews, 1968)'
_exptl_crystal_colour            colorless
_exptl_crystal_density_diffrn    1.169
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       prismatic
_exptl_crystal_F_000             272.00
_exptl_crystal_size_max          0.600
_exptl_crystal_size_mid          0.400
_exptl_crystal_size_min          0.100
_refine_diff_density_max         0.23
_refine_diff_density_min         -0.13
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.733
_refine_ls_hydrogen_treatment    refall
_refine_ls_matrix_type           full
_refine_ls_number_constraints    0
_refine_ls_number_parameters     251
_refine_ls_number_reflns         2302
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0390
_refine_ls_R_factor_gt           0.0390
_refine_ls_shift/su_max          0.0000
_refine_ls_shift/su_mean         0.0000
_refine_ls_structure_factor_coef F
_refine_ls_weighting_scheme      unit
_refine_ls_wR_factor_gt          0.0379
_refine_ls_wR_factor_ref         0.0379
_reflns_number_gt                2302
_reflns_number_total             3237
_reflns_threshold_expression     >2.0sigma(I)
_cod_data_source_file            901392jsup1.cif
_cod_data_source_block           compound14
_cod_depositor_comments
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The following automatic conversions were performed:

'_diffrn_ambient_temperature' value '-123.0' was changed to '150.15'
- it was converted from degrees Celsius(C) to Kelvins(K).

Automatic conversion script
Id: cif_fix_values 1891 2012-01-12 08:04:46Z andrius 

The following automatic conversions were performed:
'_reflns_observed_expression' tag replaced with
'_reflns_threshold_expression' tag as specified in the replacement
file
'cod-tools/trunk/perl-scripts/inputs/replacement_tags.lst'.

'_atom_site_calc_flags'
tag replaced with '_atom_site_calc_flag' tag as specified in the
replacement file
'cod-tools/trunk/perl-scripts/inputs/replacement_tags.lst'.

'_atom_type_scat_imag'
tag replaced with '_atom_type_scat_dispersion_imag' tag as specified
in the replacement file
'cod-tools/trunk/perl-scripts/inputs/replacement_tags.lst'.

Automatic conversion script
Id: cif_correct_tags 3137 2015-03-23 15:08:43Z antanas 
;
_cod_original_sg_symbol_H-M      'P -1         '
_cod_original_formula_sum        'C16 H24 O2 '
_cod_database_code               7110496