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Information card for entry 7203884
Preview
| Coordinates | 7203884.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | ChemSpider |
| Formula | C22 H21 N O2 |
|---|---|
| Calculated formula | C22 H21 N O2 |
| SMILES | C(NCC(=O)OC)(c1ccccc1)(c1ccccc1)c1ccccc1 |
| 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 | 16.574 ± 0.002 Å |
| b | 12.5221 ± 0.0018 Å |
| c | 17.769 ± 0.003 Å |
| α | 90° |
| β | 105.757 ± 0.003° |
| γ | 90° |
| Cell volume | 3549.2 ± 0.9 Å3 |
| Cell temperature | 160 ± 2 K |
| Ambient diffraction temperature | 160 ± 2 K |
| Number of distinct elements | 4 |
| Space group number | 15 |
| Hermann-Mauguin space group symbol | C 1 2/c 1 |
| Hall space group symbol | -C 2yc |
| Residual factor for all reflections | 0.085 |
| Residual factor for significantly intense reflections | 0.0511 |
| Weighted residual factors for significantly intense reflections | 0.1354 |
| Weighted residual factors for all reflections included in the refinement | 0.1579 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.075 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 202017 (current) | 2017-10-14 | cif/ Marking COD entries in range 7 that are known to be related to ChemSpider entries using the _cod_related_entry data loop. |
7203884.cif |
| 180369 | 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. |
7203884.cif |
| 120443 | 2014-07-15 | Adding 17924 DOIs guessed from source file names. | 7203884.cif |
| 35909 | 2012-02-26 | cif/7/: reorganising range 7 into a prefix-directory tree. | 7203884.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/. |
7203884.cif |
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Users of the data should acknowledge the original authors of the
structural data.