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Information card for entry 1571607
Preview
| Coordinates | 1571607.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C15 H10 Cl F3 N2 O2 |
|---|---|
| Calculated formula | C15 H10 Cl F3 N2 O2 |
| Title of publication | Trimodal operation of a robust smart organic crystal. |
| Authors of publication | Wu, Wenbo; Chen, Kui; Yu, Hui; Zhu, Jiaxuan; Feng, Yaoguang; Wang, Jingkang; Huang, Xin; Li, Liang; Hao, Hongxun; Wang, Ting; Wang, Na; Naumov, Panče |
| Journal of publication | Chemical science |
| Year of publication | 2024 |
| Journal volume | 15 |
| Journal issue | 24 |
| Pages of publication | 9287 - 9297 |
| a | 18.847 ± 0.006 Å |
| b | 10.089 ± 0.003 Å |
| c | 8.313 ± 0.002 Å |
| α | 90° |
| β | 90.989 ± 0.01° |
| γ | 90° |
| Cell volume | 1580.5 ± 0.8 Å3 |
| Cell temperature | 365 K |
| Ambient diffraction temperature | 365 K |
| Number of distinct elements | 6 |
| 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 | 0.1582 |
| Residual factor for significantly intense reflections | 0.0677 |
| Weighted residual factors for significantly intense reflections | 0.1518 |
| Weighted residual factors for all reflections included in the refinement | 0.1986 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.021 |
| Diffraction radiation probe | x-ray |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 292861 (current) | 2024-07-05 | cif/ Updating files of 1571604, 1571605, 1571606, 1571607, 1571608, 1571609 Original log message: Adding full bibliography for 1571604--1571609.cif. |
1571607.cif |
| 291828 | 2024-05-14 | cif/ Adding structures of 1571604, 1571605, 1571606, 1571607, 1571608, 1571609 via cif-deposit CGI script. |
1571607.cif |
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Users of the data should acknowledge the original authors of the
structural data.