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Information card for entry 1559891
Preview
| Coordinates | 1559891.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C26 H25 O |
|---|---|
| Calculated formula | C26 H25 O |
| SMILES | O(c1c2c(ccc1)/C(=C/c1ccc(cc1)C)[C@@H]1[C@H]3[C@H]4CC=C[C@H]4[C@@H]([C@H]21)C3)C |
| Title of publication | Trace mild acid-catalysed <i>Z</i> →<i>E</i> isomerization of norbornene-fused stilbene derivatives: intelligent chiral molecular photoswitches with controllable self-recovery. |
| Authors of publication | Hao, Taotao; Yang, Yongsheng; Liang, Wenting; Fan, Chunying; Wang, Xin; Wu, Wanhua; Chen, Xiaochuan; Fu, Haiyan; Chen, Hua; Yang, Cheng |
| Journal of publication | Chemical science |
| Year of publication | 2020 |
| Journal volume | 12 |
| Journal issue | 7 |
| Pages of publication | 2614 - 2622 |
| a | 11.9345 ± 0.0013 Å |
| b | 7.2394 ± 0.0008 Å |
| c | 22.679 ± 0.002 Å |
| α | 90° |
| β | 99.029 ± 0.011° |
| γ | 90° |
| Cell volume | 1935.2 ± 0.4 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293.15 K |
| Number of distinct elements | 3 |
| Space group number | 5 |
| Hermann-Mauguin space group symbol | I 1 2 1 |
| Hall space group symbol | I 2y |
| Residual factor for all reflections | 0.0749 |
| Residual factor for significantly intense reflections | 0.053 |
| Weighted residual factors for significantly intense reflections | 0.1194 |
| Weighted residual factors for all reflections included in the refinement | 0.1344 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.046 |
| Diffraction radiation probe | x-ray |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 267092 (current) | 2021-07-05 | cif/ Updating files of 1559890, 1559891, 1559892 Original log message: Adding full bibliography for 1559890--1559892.cif. |
1559891.cif |
| 262550 | 2021-03-05 | cif/ Updating files of 1559890, 1559891, 1559892 Original log message: Adding full bibliography for 1559890--1559892.cif. |
1559891.cif |
| 260277 | 2020-12-31 | cif/ Adding structures of 1559890, 1559891, 1559892 via cif-deposit CGI script. |
1559891.cif |
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Users of the data should acknowledge the original authors of the
structural data.