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Information card for entry 2003828
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| Coordinates | Coordinates are not available: file is not found. |
|---|---|
| Original IUCr paper | HTML |
| Chemical name | 3-[(tertbutyl)-2-Hydroxy-3H-Naphth-3-ylidene)methyl]aldamine |
|---|---|
| Formula | C15 H17 N O |
| Calculated formula | C15 H17 N O |
| SMILES | c1c(c(cc2ccccc12)/C=N/C(C)(C)C)O |
| Title of publication | Two 2,3-Naphthalenic Schiff Bases |
| Authors of publication | Fernández-G., J. M.; Rodríguez-Romero, A.; Panneerselvam, K.; Soriano-García, M. |
| Journal of publication | Acta Crystallographica Section C |
| Year of publication | 1995 |
| Journal volume | 51 |
| Journal issue | 8 |
| Pages of publication | 1643 - 1646 |
| a | 6.076 ± 0.002 Å |
| b | 14.055 ± 0.006 Å |
| c | 15.087 ± 0.009 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 1288.4 ± 1 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 2 K |
| Number of distinct elements | 4 |
| Space group number | 19 |
| Hermann-Mauguin space group symbol | P 21 21 21 |
| Hall space group symbol | P 2ac 2ab |
| Residual factor for all reflections | 0.0585 |
| Residual factor for significantly intense reflections | 0.0554 |
| Weighted residual factors for all reflections | 0.1643 |
| Weighted residual factors for significantly intense reflections | 0.1597 |
| Goodness-of-fit parameter for all reflections | 1.153 |
| Goodness-of-fit parameter for significantly intense reflections | 1.164 |
| Diffraction radiation wavelength | 1.54178 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
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