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Information card for entry 2008862
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| Coordinates | Coordinates are not available: file is not found. |
|---|---|
| Original IUCr paper | HTML |
| Common name | di[1-dimethylamino-8-dimethylammonionaphthalene][naphthalene-1,5-dicarboxylic acid-4,8-dicarboxylate] dihydrate |
|---|---|
| Formula | C21 H24 N2 O5 |
| Calculated formula | C42 H48 N4 O10 |
| Title of publication | Hydrogen bonding and C—H···O interactions in bis(8-dimethylamino-1-dimethylammonionaphthalene) [(DMANH^+^)~2~] 4,8-dicarboxynaphthalene-1,5-dicarboxylate dihydrate |
| 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 | 9 |
| Pages of publication | 1556 - 1559 |
| a | 7.726 ± 0.002 Å |
| b | 9.818 ± 0.002 Å |
| c | 13.169 ± 0.002 Å |
| α | 99 ± 0.01° |
| β | 106.57 ± 0.02° |
| γ | 91.54 ± 0.02° |
| Cell volume | 942.9 ± 0.4 Å3 |
| Cell temperature | 296 K |
| Ambient diffraction temperature | 296 K |
| Number of distinct elements | 4 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for significantly intense reflections | 0.038 |
| Weighted residual factors for all reflections included in the refinement | 0.067 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.86 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
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