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Information card for entry 3000476
Preview
| Coordinates | 3000476.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | XRDa |
| Formula | C20 H10 N4 O2 |
|---|---|
| Calculated formula | C20 H10 N4 O2.005 |
| 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 | 3.7388 ± 0.0002 Å |
| b | 11.9046 ± 0.0005 Å |
| c | 40.4205 ± 0.0019 Å |
| α | 90° |
| β | 92.318 ± 0.005° |
| γ | 90° |
| Cell volume | 1797.6 ± 0.15 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 K |
| Number of distinct elements | 4 |
| Space group number | 4 |
| Hermann-Mauguin space group symbol | P 1 21 1 |
| Hall space group symbol | P 2yb |
| Residual factor for all reflections | 0.2474 |
| Weighted residual factors for significantly intense reflections | 0.4468 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.667 |
| Diffraction radiation probe | x-ray |
| Diffraction radiation wavelength | 0.812 Å |
| Diffraction radiation type | Synchrotron |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 299433 (current) | 2025-04-28 | Adding XRDa raw data links to the COD entries 3000470 -- 3000476. cif/ (saulius@pterodaktilis) |
3000476.cif |
| 294773 | 2024-09-17 | cif/ Updating files of 3000476 Original log message: Releasing structure 3000476 into public domain as published material. |
3000476.cif |
| 289004 | 2024-01-10 | cif/ Adding structures of 3000476 via cif-deposit CGI script. |
3000476.cif |
All data in the COD and the database itself are dedicated to the
public domain and licensed under the
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Users of the data should acknowledge the original authors of the
structural data.