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Information card for entry 1551630
Preview
| Coordinates | 1551630.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C20 H23 N O2 |
|---|---|
| Calculated formula | C20 H23 N O2 |
| SMILES | OC(=O)c1ccc(cc1)/C=N/c1ccc(cc1)CCCCCC |
| Title of publication | Mesomorphic Property and Crystal Structure of 4-Carboxybenzylidene-4′-hexylaniline |
| Authors of publication | KUBO, Kanji; MATSUMOTO, Taisuke; IDETA, Keiko; UJIIE, Seiji |
| Journal of publication | X-ray Structure Analysis Online |
| Year of publication | 2015 |
| Journal volume | 31 |
| Journal issue | 0 |
| Pages of publication | 39 |
| a | 6.425 ± 0.0018 Å |
| b | 8.495 ± 0.003 Å |
| c | 16.665 ± 0.006 Å |
| α | 93.09 ± 0.02° |
| β | 98.399 ± 0.018° |
| γ | 110.373 ± 0.014° |
| Cell volume | 838.1 ± 0.5 Å3 |
| Cell temperature | 123 K |
| Ambient diffraction temperature | 123 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 significantly intense reflections | 0.0459 |
| Weighted residual factors for all reflections included in the refinement | 0.1499 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.951 |
| Diffraction radiation wavelength | 0.71075 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 216241 (current) | 2019-06-20 | cif/ Adding structures of 1551630 via cif-deposit CGI script. |
1551630.cif |
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Users of the data should acknowledge the original authors of the
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