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Information card for entry 8000436
Preview
| Coordinates | 8000436.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C17 H16 F N O2 |
|---|---|
| Calculated formula | C17 H16 F N O2 |
| SMILES | N(C)(c1ccc(C(=O)/C=C(\O)c2cccc(F)c2)cc1)C |
| 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 | 8.4897 ± 0.0006 Å |
| b | 10.6452 ± 0.0006 Å |
| c | 30.8917 ± 0.0019 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 2791.8 ± 0.3 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100.05 K |
| Number of distinct elements | 5 |
| Space group number | 61 |
| Hermann-Mauguin space group symbol | P b c a |
| Hall space group symbol | -P 2ac 2ab |
| Residual factor for all reflections | 0.0672 |
| Residual factor for significantly intense reflections | 0.0541 |
| Weighted residual factors for significantly intense reflections | 0.1375 |
| Weighted residual factors for all reflections included in the refinement | 0.1457 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.063 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 253500 (current) | 2020-06-27 | cif/ Adding structures of 8000436 via cif-deposit CGI script. |
8000436.cif |
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Users of the data should acknowledge the original authors of the
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