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Information card for entry 1559849
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| Coordinates | 1559849.cif |
|---|---|
| Structure factors | 1559849.hkl |
| Original IUCr paper | HTML |
| Common name | 1-naphthalenemethanol |
|---|---|
| Chemical name | Naphthalen-1-ylmethanol |
| Formula | C11 H10 O |
| Calculated formula | C11 H10 O |
| SMILES | OCc1cccc2ccccc12 |
| Title of publication | Naphthalen-1-ylmethanol |
| Authors of publication | Nazarenko, Alexander Y. |
| Journal of publication | IUCrData |
| Year of publication | 2020 |
| Journal volume | 5 |
| Journal issue | 12 |
| Pages of publication | x201646 |
| a | 4.9306 ± 0.0001 Å |
| b | 15.7882 ± 0.0005 Å |
| c | 21.0651 ± 0.0006 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 1639.82 ± 0.08 Å3 |
| Cell temperature | 173 ± 2 K |
| Ambient diffraction temperature | 173 K |
| Number of distinct elements | 3 |
| Space group number | 61 |
| Hermann-Mauguin space group symbol | P b c a |
| Hall space group symbol | -P 2ac 2ab |
| Residual factor for all reflections | 0.0712 |
| Residual factor for significantly intense reflections | 0.0505 |
| Weighted residual factors for significantly intense reflections | 0.1282 |
| Weighted residual factors for all reflections included in the refinement | 0.1438 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.035 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 260119 (current) | 2020-12-23 | cif/ hkl/ Adding structures of 1559849 via cif-deposit CGI script. |
1559849.cif 1559849.hkl |
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Users of the data should acknowledge the original authors of the
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