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Information card for entry 2008528
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| Coordinates | 2008528.cif |
|---|---|
| Original IUCr paper | HTML |
| Chemical name | naphthalene-2,3-dicarbaldehyde |
|---|---|
| Formula | C12 H8 O2 |
| Calculated formula | C12 H8 O2 |
| SMILES | O=Cc1c(cc2ccccc2c1)C=O |
| Title of publication | Naphthalene-2,3-dicarbaldehyde |
| Authors of publication | Britton, Doyle |
| Journal of publication | Acta Crystallographica Section C |
| Year of publication | 1999 |
| Journal volume | 55 |
| Journal issue | 6 |
| Pages of publication | 978 - 980 |
| a | 3.8724 ± 0.0002 Å |
| b | 12.0839 ± 0.0005 Å |
| c | 18.4079 ± 0.0006 Å |
| α | 90° |
| β | 91.412 ± 0.002° |
| γ | 90° |
| Cell volume | 861.11 ± 0.06 Å3 |
| Cell temperature | 173 ± 2 K |
| Ambient diffraction temperature | 173 ± 2 K |
| Number of distinct elements | 3 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/c 1 |
| Hall space group symbol | -P 2ybc |
| Residual factor for all reflections | 0.047 |
| Residual factor for significantly intense reflections | 0.039 |
| Weighted residual factors for all reflections | 0.108 |
| Weighted residual factors for significantly intense reflections | 0.101 |
| Goodness-of-fit parameter for all reflections | 1.06 |
| Goodness-of-fit parameter for significantly intense reflections | 1.08 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
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