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Information card for entry 3000470
Preview
| Coordinates | 3000470.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C20 H10 N4 O2 |
|---|---|
| Calculated formula | C20 H10 N4 O2 |
| 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 | 3.795 Å |
| b | 14.526 Å |
| c | 17.715 Å |
| α | 97.17° |
| β | 96.81° |
| γ | 99.79° |
| Cell volume | 945.003 Å3 |
| Cell temperature | 79 K |
| Ambient diffraction temperature | 79 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 all reflections | 0.2225 |
| Weighted residual factors for significantly intense reflections | 0.4048 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.281 |
| Diffraction radiation wavelength | 0.02508 Å |
| Diffraction radiation type | electrons |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 294767 (current) | 2024-09-17 | cif/ Updating files of 3000470 Original log message: Releasing structure 3000470 into public domain as published material. |
3000470.cif |
| 288998 | 2024-01-10 | cif/ Adding structures of 3000470 via cif-deposit CGI script. |
3000470.cif |
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Users of the data should acknowledge the original authors of the
structural data.