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Information card for entry 7236553
Preview
| Coordinates | 7236553.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C12 H11 N O2 |
|---|---|
| Calculated formula | C12 H11 N O2 |
| SMILES | CCOC(=O)/C(=C/c1ccccc1)C#N |
| Title of publication | Photoswitching storage of guest molecules in metal–organic framework for photoswitchable catalysis: exceptional product, ultrahigh photocontrol, and photomodulated size selectivity |
| Authors of publication | Gong, Le Le; Yao, Wan Ting; Liu, Zhi Qiang; Zheng, An Min; Li, Jian Qiang; Feng, Xue Feng; Ma, Lu Fang; Yan, Chang Sheng; Luo, Ming Biao; Luo, Feng |
| Journal of publication | Journal of Materials Chemistry A |
| Year of publication | 2017 |
| Journal volume | 5 |
| Journal issue | 17 |
| Pages of publication | 7961 |
| a | 7.4425 ± 0.0003 Å |
| b | 7.545 ± 0.0003 Å |
| c | 10.892 ± 0.0005 Å |
| α | 100.835 ± 0.003° |
| β | 96.718 ± 0.004° |
| γ | 113.445 ± 0.003° |
| Cell volume | 538.5 ± 0.04 Å3 |
| Cell temperature | 296 ± 2 K |
| Ambient diffraction temperature | 296 ± 2 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 | 0.0645 |
| Residual factor for significantly intense reflections | 0.0554 |
| Weighted residual factors for significantly intense reflections | 0.1559 |
| Weighted residual factors for all reflections included in the refinement | 0.1699 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.022 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 298703 (current) | 2025-04-03 | cif/7: Fixing Z values and formulae |
7236553.cif |
| 236303 | 2019-11-24 | cif/ Adding structures of 7236552, 7236553, 7236554, 7236555, 7236556, 7236557, 7236558, 7236559, 7236560 via cif-deposit CGI script. |
7236553.cif |
All data in the COD and the database itself are dedicated to the
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CC0
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Users of the data should acknowledge the original authors of the
structural data.