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Information card for entry 8000438
Preview
| Coordinates | 8000438.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C17 H16 F N O2 |
|---|---|
| Calculated formula | C17 H16 F N O2 |
| SMILES | O=C(/C=C(\O)c1cc(F)ccc1)c1ccc(N(C)C)cc1 |
| Title of publication | Engineering Mechanical Compliance of an Organic Compound toward Flexible Crystal Lasing Media. |
| Authors of publication | Chu, Xiaotong; Lu, Zhuoqun; Tang, Baolei; Liu, Bin; Ye, Kaiqi; Zhang, Hongyu |
| Journal of publication | The journal of physical chemistry letters |
| Year of publication | 2020 |
| Pages of publication | 5433 - 5438 |
| a | 10.913 ± 0.0007 Å |
| b | 11.7943 ± 0.0007 Å |
| c | 11.5984 ± 0.0006 Å |
| α | 90° |
| β | 111.525 ± 0.002° |
| γ | 90° |
| Cell volume | 1388.73 ± 0.14 Å3 |
| Cell temperature | 104 ± 2 K |
| Ambient diffraction temperature | 104.04 K |
| Number of distinct elements | 5 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/c 1 |
| Hall space group symbol | -P 2ybc |
| Residual factor for all reflections | 0.1079 |
| Residual factor for significantly intense reflections | 0.0849 |
| Weighted residual factors for significantly intense reflections | 0.2365 |
| Weighted residual factors for all reflections included in the refinement | 0.2662 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.04 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 253502 (current) | 2020-06-27 | cif/ Adding structures of 8000438 via cif-deposit CGI script. |
8000438.cif |
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Users of the data should acknowledge the original authors of the
structural data.