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Information card for entry 2014382
Preview
| Coordinates | 2014382.cif |
|---|---|
| Structure factors | 2014382.hkl |
| Original IUCr paper | HTML |
| Chemical name | 2,2,4,4-Tetra-tert-butyl-1,3,5,2,4-benzotrioxadisilepine-7-carbaldehyde |
|---|---|
| Formula | C23 H40 O4 Si2 |
| Calculated formula | C23 H40 O4 Si2 |
| Title of publication | 2,2,4,4-Tetra-<i>tert</i>-butyl-1,3,5,2,4-benzotrioxadisilepine-7-carbaldehyde |
| Authors of publication | Andrade, L. C. R.; Paixão, J. A.; de Almeida, M. J. M.; Siquet, C.; Borges, F. |
| Journal of publication | Acta Crystallographica, Section C: Crystal Structure Communications |
| Year of publication | 2006 |
| Journal volume | 62 |
| Journal issue | 2 |
| Pages of publication | o96 - o97 |
| a | 8.8451 ± 0.0005 Å |
| b | 9.751 ± 0.003 Å |
| c | 16.1106 ± 0.001 Å |
| α | 98.127 ± 0.008° |
| β | 90.392 ± 0.005° |
| γ | 107.899 ± 0.01° |
| Cell volume | 1307.2 ± 0.4 Å3 |
| Cell temperature | 291 ± 2 K |
| Ambient diffraction temperature | 293 ± 2 K |
| Number of distinct elements | 4 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.0711 |
| Residual factor for significantly intense reflections | 0.0483 |
| Weighted residual factors for significantly intense reflections | 0.1294 |
| Weighted residual factors for all reflections included in the refinement | 0.1479 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.055 |
| Diffraction radiation wavelength | 1.54178 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 277834 (current) | 2022-09-14 | cif/ Added space group information derived from the space group operation list using the 'cif_filter' program. |
2014382.cif 2014382.hkl |
| 180696 | 2016-04-02 | cif/ hkl/ Adding hkl files for entry 2014382. |
2014382.cif 2014382.hkl |
| 180694 | 2016-04-02 | cif/2/01/ (antanas@kurmis) Updating bibliography and adding additional information from the original publication to entry 2014382. |
2014382.cif |
| 26848 | 2011-09-28 | cif/2/, hkl/2/, html/ Reorganising CIFs of the range 2* into the "prefix-directory" tree. |
2014382.cif |
| 966 | 2010-01-30 | cif/ Adding _cod_database_code tags to all COD entries. Adding tag description to the cif_cod.dic dictionary so that COD entries can be validated. |
2014382.cif |
| 19 | 2008-01-26 | Changing all end-of-line codes from DOS style to UNIX style in all COD CIF files, for more convenient processing: In the cod/cif/ directory: ff \*.cif | xargs perl -i -pe 's/\r\n/\n/' |
2014382.cif |
| 14 | 2008-01-14 | Appending a header with SVN keywords, COD URL and copying policy to all COD CIF files. |
2014382.cif |
| 13 | 2008-01-13 | Setting the svn:keywords property to "Author Date Revision URL Id" for all CIF files in the cod/cif directory. |
2014382.cif |
| 1 | 2007-11-30 | Adding all .cif files from the COD, downloaded in a Cod.zip file on 2007.02.07 (and the same Cod.zip is downloadable today, on 2007.11.29) |
2014382.cif |
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Users of the data should acknowledge the original authors of the
structural data.