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Information card for entry 7230491
Preview
| Coordinates | 7230491.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Common name | DE2 |
|---|---|
| Chemical name | N, N'-bis [(4-diethylaminophenyl) methylidene] diaminomaleonitrile |
| Formula | C26 H30 N6 |
| Calculated formula | C26 H30 N6 |
| Title of publication | Macroscopic crystalline deformation in an organic dye during reversible phase transition caused by alkyl disorder |
| Authors of publication | Minami, Takaya; Sato, Hiroyasu; Matsumoto, Shinya |
| Journal of publication | CrystEngComm |
| Year of publication | 2018 |
| Journal volume | 20 |
| Journal issue | 19 |
| Pages of publication | 2644 |
| a | 9.1764 ± 0.0004 Å |
| b | 11.1823 ± 0.0004 Å |
| c | 18.1079 ± 0.0007 Å |
| α | 79.869 ± 0.003° |
| β | 76.15 ± 0.003° |
| γ | 89.88 ± 0.003° |
| Cell volume | 1774.4 ± 0.12 Å3 |
| Cell temperature | 243 K |
| Ambient diffraction temperature | 243 K |
| Number of distinct elements | 3 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.1548 |
| Residual factor for significantly intense reflections | 0.0783 |
| Weighted residual factors for significantly intense reflections | 0.1777 |
| Weighted residual factors for all reflections included in the refinement | 0.2265 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.026 |
| Diffraction radiation wavelength | 0.71075 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301866 (current) | 2025-08-23 | Add cross-references to PubChem compounds in COD range 7/23/ Each referenced PubChem compound corresponds to the full crystal structure. |
7230491.cif |
| 229014 | 2019-11-17 | cif/ Updating files of 7230490, 7230491, 7230492, 7230493, 7230494, 7230495, 7230496 Original log message: Adding full bibliography for 7230490--7230496.cif. |
7230491.cif |
| 207384 | 2018-04-18 | cif/ Adding structures of 7230490, 7230491, 7230492, 7230493, 7230494, 7230495, 7230496 via cif-deposit CGI script. |
7230491.cif |
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Users of the data should acknowledge the original authors of the
structural data.