Polyethylated Triptycene Derivatives
Vered Marks; Moshe Nahmany; Hugo E. Gottlieb; Silvio E. Biali; Journal of Organic Chemistry 67 (2002) 7898–7901; doi:10.1021/jo026206v

data_4022265
_publ_section_title
;
 Polyethylated Triptycene Derivatives
;
_journal_name_full               'Journal of Organic Chemistry'
_journal_page_first              7898
_journal_page_last               7901
_journal_paper_doi               10.1021/jo026206v
_journal_volume                  67
_journal_year                    2002
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_symmetry_cell_setting           triclinic
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_audit_creation_date             'Sun Mar 24 13:44:03 2002'
_audit_creation_method           'from TEXRAY.INF file'
_cell_angle_alpha                93.38(5)
_cell_angle_beta                 112.04(6)
_cell_angle_gamma                77.05(3)
_cell_formula_units_Z            2
_cell_length_a                   10.350(4)
_cell_length_b                   16.650(5)
_cell_length_c                   9.89(1)
_cell_measurement_reflns_used    24
_cell_measurement_temperature    293.2
_cell_measurement_theta_max      29.0
_cell_measurement_theta_min      20.0
_cell_volume                     1538(1)
_computing_cell_refinement       'CAD4 Diffractometer Control'
_computing_data_collection       'CAD4 Diffractometer Control'
_computing_data_reduction        teXsan
_computing_publication_material  teXsan
_computing_structure_refinement  teXsan
_computing_structure_solution    SHELXS86
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_diffrn_measurement_device       unknown
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_diffrn_orient_matrix_UB_23      0.02789
_diffrn_orient_matrix_UB_31      -0.00155
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_diffrn_radiation_detector       scintillation
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_diffrn_radiation_type           CuKalpha
_diffrn_radiation_wavelength     1.5418
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_diffrn_reflns_limit_h_max       10
_diffrn_reflns_limit_h_min       -11
_diffrn_reflns_limit_k_max       18
_diffrn_reflns_limit_k_min       -18
_diffrn_reflns_limit_l_max       11
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_diffrn_standards_decay_%        1.61
_diffrn_standards_interval_count 100
_diffrn_standards_number         3
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_exptl_crystal_colour            colorless
_exptl_crystal_density_diffrn    1.094
_exptl_crystal_density_meas      0.000
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_refine_ls_number_restraints     0
_refine_ls_R_factor_obs          0.0530
_refine_ls_shift/esd_max         0.0000
_refine_ls_structure_factor_coef F
_refine_ls_weighting_scheme      sigma
_refine_ls_wR_factor_obs         0.0990
_reflns_number_observed          3904
_reflns_number_total             4564
_reflns_observed_criterion       3.00
_cod_data_source_file            jo026206v_s3.cif
_cod_data_source_block           MOSHE_NACHMANI_23/1/02_50KV_26M
_cod_depositor_comments
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The following automatic conversions were performed:

'_atom_site_thermal_displace_type' tag value 'Uij' was replaced with
'Uani' value 88 times.

Automatic conversion script
Id: cif_fix_values 1646 2011-03-28 12:23:43Z adriana 
;
_cod_original_sg_symbol_H-M      'P -1       '
_cod_database_code               4022265