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Information card for entry 2206776
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| Coordinates | 2206776.cif |
|---|---|
| Structure factors | 2206776.hkl |
| Original IUCr paper | HTML |
| Formula | C30 H26 N6 O6 |
|---|---|
| Calculated formula | C30 H26 N6 O6 |
| SMILES | O=C1c2ccc3c4c2c(C(=O)N1c1ccncc1)ccc4C(=O)N(C3=O)c1ccncc1.O=CN(C)C.O=CN(C)C |
| Title of publication | <i>N</i>,<i>N</i>'-Bis(4-pyridyl)naphthalene-3,4:7,8-dicarboximide dimethylformamide disolvate |
| Authors of publication | Mizuguchi, Jin; Makino, Takashi; Imura, Yasuo; Takahashi, Hiroo; Suzuki, Shigeru |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2005 |
| Journal volume | 61 |
| Journal issue | 9 |
| Pages of publication | o3044 - o3046 |
| a | 5.389 ± 0.0008 Å |
| b | 12.2012 ± 0.0017 Å |
| c | 19.998 ± 0.003 Å |
| α | 90° |
| β | 91.764 ± 0.01° |
| γ | 90° |
| Cell volume | 1314.3 ± 0.3 Å3 |
| Cell temperature | 93.1 K |
| Number of distinct elements | 4 |
| 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 | 0.0967 |
| Weighted residual factors for all reflections included in the refinement | 0.309 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.106 |
| Diffraction radiation wavelength | 1.5418 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
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Users of the data should acknowledge the original authors of the
structural data.