Air-stable crystalline primary phosphines and germanes: synthesis and crystal structures of dibenzobarellenephosphine and tribenzobarellenegermane
Brynda, Marcin; Geoffroy, Michel; Bernardinelli, Gérald; Chemical Communications  (1999) 961–; doi:10.1039/a901083a

data_7110491
_publ_contact_author
;
     Dr G\'erald Bernardinelli
     Laboratoire de Cristallographie
     Universit\'e de Gen\`eve
     24, quai E. Ansermet
     CH - 1211 Gen\`eve 4
     Switzerland
;
_publ_section_title
;
 Air-stable crystalline primary phosphines and germanes: synthesis and
 crystal structures of dibenzobarellenephosphine and
 tribenzobarellenegermane
;
_journal_issue                   11
_journal_name_full               'Chemical Communications'
_journal_page_first              961
_journal_paper_doi               10.1039/a901083a
_journal_year                    1999
_chemical_formula_moiety         'C21 H16'
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_chemical_name_common
;
9-methyltriptycene
;
_chemical_name_systematic
;
tribenzobarellenemethane
;
_space_group_IT_number           148
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_symmetry_space_group_name_Hall  '-R 3'
_symmetry_space_group_name_H-M   'R -3 :H'
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_audit_creation_method           from_xtal_archive_file_using_CIFIO
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_cell_angle_beta                 90.00000
_cell_angle_gamma                120.0000
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_cell_length_a                   11.7919(7)
_cell_length_b                   11.7919(7)
_cell_length_c                   17.5871(8)
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_cell_measurement_temperature    170
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_cell_volume                     2117.8(2)
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_computing_molecular_graphics    xtal_gx3
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_diffrn_standards_decay_%        0
_diffrn_standards_interval_time  30
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_exptl_absorpt_correction_T_min  .858328
_exptl_absorpt_correction_type   Analytical_integration
_exptl_absorpt_process_details   xtal_lsabs
_exptl_crystal_colour            colorless
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_exptl_crystal_density_meas      ?
_exptl_crystal_description       prism
_exptl_crystal_size_max          .28
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_refine_ls_abs_structure_details none
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;
 observed and refined excepted H8 and H8a (calculated)
;
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_refine_ls_structure_factor_coef F
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_cod_data_source_file            901083asup1.cif
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_cod_depositor_comments
;
The following automatic conversions were performed:

'_exptl_crystal_density_meas' value 'not_measured' was changed to '?'
- the value is perceived as not measured.

Automatic conversion script
Id: cif_fix_values 3008 2015-01-20 13:52:24Z robertas 
;
_cod_original_cell_volume        2117.8(3)
_cod_original_sg_symbol_H-M      'R-3  No 148'
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