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Information card for entry 7203886
Preview
| Coordinates | 7203886.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C22 H23 N O3 |
|---|---|
| Calculated formula | C22 H23 N O3 |
| SMILES | NC(c1ccc(cc1)OC)(c1ccc(cc1)OC)c1ccc(cc1)OC |
| Title of publication | Preparations, X-ray crystal structure determinations, and base strength measurements of substituted tritylamines |
| Authors of publication | Moisés Canle L.; William Clegg; Ibrahim Demirtas; Mark R. J. Elsegood; Howard Maskill |
| Journal of publication | J. Chem. Soc., Perkin Trans. 2 |
| Year of publication | 2000 |
| Journal issue | 1 |
| Pages of publication | 85 - 92 |
| a | 10.497 ± 0.002 Å |
| b | 18.498 ± 0.002 Å |
| c | 19.597 ± 0.002 Å |
| α | 90° |
| β | 102.78 ± 0.017° |
| γ | 90° |
| Cell volume | 3711 ± 0.9 Å3 |
| Cell temperature | 160 ± 2 K |
| Ambient diffraction temperature | 160 ± 2 K |
| Number of distinct elements | 4 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/c 1 |
| Hall space group symbol | -P 2ybc |
| Residual factor for all reflections | 0.0634 |
| Residual factor for significantly intense reflections | 0.0435 |
| Weighted residual factors for significantly intense reflections | 0.0969 |
| Weighted residual factors for all reflections included in the refinement | 0.1105 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.061 |
| Diffraction radiation wavelength | 1.54184 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 180369 (current) | 2016-03-26 | cif/7/20/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/20/38. |
7203886.cif |
| 120443 | 2014-07-15 | Adding 17924 DOIs guessed from source file names. | 7203886.cif |
| 35909 | 2012-02-26 | cif/7/: reorganising range 7 into a prefix-directory tree. | 7203886.cif |
| 3890 | 2010-12-07 | cif/7/ Adding CIFs with data extracted from New-J-Chem-2004-2000/, Org-Biomol-Chem-2004-2000/ and RSC-2004-2000/. |
7203886.cif |
All data in the COD and the database itself are dedicated to the
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Users of the data should acknowledge the original authors of the
structural data.