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Information card for entry 7110491
Preview
| Coordinates | 7110491.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Common name | 9-methyltriptycene |
|---|---|
| Chemical name | tribenzobarellenemethane |
| Formula | C21 H16 |
| Calculated formula | C21 H16 |
| Title of publication | Air-stable crystalline primary phosphines and germanes: synthesis and crystal structures of dibenzobarellenephosphine and tribenzobarellenegermane |
| Authors of publication | Brynda, Marcin; Geoffroy, Michel; Bernardinelli, Gérald |
| Journal of publication | Chemical Communications |
| Year of publication | 1999 |
| Journal issue | 11 |
| Pages of publication | 961 |
| a | 11.7919 ± 0.0007 Å |
| b | 11.7919 ± 0.0007 Å |
| c | 17.5871 ± 0.0008 Å |
| α | 90° |
| β | 90° |
| γ | 120° |
| Cell volume | 2117.8 ± 0.2 Å3 |
| Cell temperature | 170 K |
| Number of distinct elements | 2 |
| Space group number | 148 |
| Hermann-Mauguin space group symbol | R -3 :H |
| Hall space group symbol | -R 3 |
| Residual factor for significantly intense reflections | 0.038 |
| Weighted residual factors for all reflections included in the refinement | 0.036 |
| Goodness-of-fit parameter for all reflections included in the refinement | 4.803 |
| Diffraction radiation wavelength | 1.54183 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 180218 (current) | 2016-03-26 | cif/7/11/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/11/04. |
7110491.cif |
| 131588 | 2015-02-09 | cif/7/11/04/ (antanas@koala.ibt.lt) Adding missing values in '_geom_bond' loop for CIFs 7110490, 7110491. |
7110491.cif |
| 130086 | 2015-01-23 | cod/ (robertas@burundukas) The 'cif_fix_values' program was applied to CIFs that have generated the validation messages containing tag '_exptl_crystal_density_meas'. 16946 CIFs had a values that were perceived as 'not measured' and they were changed to '?'. The total of 17089 CIFs was changed. Those that were not corrected by 'cif_fix_values' were reformatted by the parser (e.g. a doi tag was moved to another place). The processing command was: mysql -u cod_reader -h www.crystallography.net cod -e \ 'select distinct codid from validation \ where message like \ "%tag%_exptl_crystal_density_meas'\''%"' -NB \ | xargs -i sh -c 'cif_fix_values {} \ | cif_filter --add-cif-header {} \ | sponge {}' |
7110491.cif |
| 95258 | 2014-01-28 | cif/ Adding structures of 7110490, 7110491 via cif-deposit CGI script. |
7110491.cif |
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Users of the data should acknowledge the original authors of the
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