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Information card for entry 3000474
Preview
| Coordinates | 3000474.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C18 H16 N2 O4 |
|---|---|
| Calculated formula | C18 H16 N2 O4 |
| Title of publication | Analysis of Solid-State Emission of the p-Bis(2,2-dicyanovinyl)benzene Analogue through Combined X-ray, Synchrotron, and Microcrystal Electron Diffraction |
| Authors of publication | Deka, Poonam; Jaiswal, Shilpi; Sarma, Parishmita; Bora, Debajit; Nakane, Takanori; Kawamoto, Akihiro; Kurisu, Genji; Mahanta, Sanjeev Pran; Patra, Abhijit; Ichiyanagi, Kouhei; Sasaki, Toshiyuki; Thakuria, Ranjit |
| Journal of publication | Crystal Growth & Design |
| Year of publication | 2024 |
| Journal volume | 24 |
| Pages of publication | 7222 - 7234 |
| a | 4.619 Å |
| b | 9.567 Å |
| c | 38.517 Å |
| α | 90° |
| β | 90.08° |
| γ | 90° |
| Cell volume | 1702.06 Å3 |
| Cell temperature | 79 K |
| Ambient diffraction temperature | 79 K |
| Number of distinct elements | 4 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/n 1 |
| Hall space group symbol | -P 2yn |
| Residual factor for all reflections | 0.2196 |
| Weighted residual factors for significantly intense reflections | 0.4732 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.679 |
| Diffraction radiation wavelength | 0.02508 Å |
| Diffraction radiation type | electrons |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 294771 (current) | 2024-09-17 | cif/ Updating files of 3000474 Original log message: Releasing structure 3000474 into public domain as published material. |
3000474.cif |
| 289002 | 2024-01-10 | cif/ Adding structures of 3000474 via cif-deposit CGI script. |
3000474.cif |
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Users of the data should acknowledge the original authors of the
structural data.