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Information card for entry 1542900
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| Coordinates | 1542900.cif |
|---|---|
| Structure factors | 1542900.hkl |
| Original IUCr paper | HTML |
| Common name | 2-(naphthalen-1-yl)ethanol |
|---|---|
| Chemical name | 2-(Naphthalen-1-yl)ethanol |
| Formula | C12 H12 O |
| Calculated formula | C12 H12 O |
| SMILES | OCCc1cccc2ccccc12 |
| Title of publication | 2-(Naphthalen-1-yl)ethanol |
| Authors of publication | Garozzo, Lee Ann; Nazarenko, Alexander Y. |
| Journal of publication | IUCrData |
| Year of publication | 2016 |
| Journal volume | 1 |
| Journal issue | 3 |
| Pages of publication | x160423 |
| a | 9.8022 ± 0.0006 Å |
| b | 14.9047 ± 0.0009 Å |
| c | 12.643 ± 0.0007 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 1847.13 ± 0.19 Å3 |
| Cell temperature | 173 ± 2 K |
| Ambient diffraction temperature | 173.15 K |
| Number of distinct elements | 3 |
| Space group number | 29 |
| Hermann-Mauguin space group symbol | P c a 21 |
| Hall space group symbol | P 2c -2ac |
| Residual factor for all reflections | 0.0286 |
| Residual factor for significantly intense reflections | 0.0282 |
| Weighted residual factors for significantly intense reflections | 0.0732 |
| Weighted residual factors for all reflections included in the refinement | 0.0735 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.038 |
| Diffraction radiation wavelength | 1.54178 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 181861 (current) | 2016-04-06 | hkl/ (antanas@echidna.ibt.lt) Adding IUCr specific svn headers to multiple entries in range 1. |
1542900.cif 1542900.hkl |
| 178349 | 2016-03-19 | cif/ hkl/ Adding structures of 1542900 via cif-deposit CGI script. |
1542900.cif 1542900.hkl |
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Users of the data should acknowledge the original authors of the
structural data.