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Information card for entry 1559892
Preview
| Coordinates | 1559892.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C23 H24 O |
|---|---|
| Calculated formula | C23 H24 O |
| SMILES | O(c1cccc2C(=C\c3ccc(cc3)C)/[C@H]3[C@@H]4CC[C@H]([C@H]3c12)C4)C.O(c1cccc2C(=C\c3ccc(cc3)C)/[C@@H]3[C@H]4CC[C@@H]([C@@H]3c12)C4)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 | 9.4684 ± 0.0006 Å |
| b | 10.1128 ± 0.0006 Å |
| c | 11.1589 ± 0.0009 Å |
| α | 111.746 ± 0.007° |
| β | 114.773 ± 0.007° |
| γ | 91.316 ± 0.005° |
| Cell volume | 880.77 ± 0.13 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293.15 K |
| Number of distinct elements | 3 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.0685 |
| Residual factor for significantly intense reflections | 0.0473 |
| Weighted residual factors for significantly intense reflections | 0.1125 |
| Weighted residual factors for all reflections included in the refinement | 0.1276 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.03 |
| 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. |
1559892.cif |
| 262550 | 2021-03-05 | cif/ Updating files of 1559890, 1559891, 1559892 Original log message: Adding full bibliography for 1559890--1559892.cif. |
1559892.cif |
| 260277 | 2020-12-31 | cif/ Adding structures of 1559890, 1559891, 1559892 via cif-deposit CGI script. |
1559892.cif |
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Users of the data should acknowledge the original authors of the
structural data.