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Information card for entry 2008568
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| Coordinates | 2008568.cif |
|---|---|
| Original IUCr paper | HTML |
| Common name | naphthalene-1,2-dicarboxylic anhydride |
|---|---|
| Formula | C12 H6 O3 |
| Calculated formula | C12 H6 O3 |
| SMILES | O=C1OC(=O)c2c1c1ccccc1cc2 |
| Title of publication | Network of C—H···O interactions in 1,2-naphthalenedicarboxylic anhydride |
| Authors of publication | Fitzgerald, Lawrence J.; Gerkin, Roger E. |
| Journal of publication | Acta Crystallographica Section C |
| Year of publication | 1999 |
| Journal volume | 55 |
| Journal issue | 6 |
| Pages of publication | 937 - 940 |
| a | 7.714 ± 0.002 Å |
| b | 17.848 ± 0.002 Å |
| c | 6.91 ± 0.002 Å |
| α | 90° |
| β | 107.34 ± 0.02° |
| γ | 90° |
| Cell volume | 908.1 ± 0.4 Å3 |
| Cell temperature | 296 K |
| Ambient diffraction temperature | 296 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 significantly intense reflections | 0.045 |
| Weighted residual factors for all reflections included in the refinement | 0.052 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.62 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
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