Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 1570540
Preview
| Coordinates | 1570540.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C21 H26 N2 O3 |
|---|---|
| Calculated formula | C21 H26 N2 O3 |
| Title of publication | Negative to positive axial thermal expansion switching of an organic crystal: contribution to multistep photoactuation. |
| Authors of publication | Hasebe, Shodai; Hagiwara, Yuki; Ueno, Takashi; Asahi, Toru; Koshima, Hideko |
| Journal of publication | Chemical science |
| Year of publication | 2024 |
| Journal volume | 15 |
| Journal issue | 3 |
| Pages of publication | 1088 - 1097 |
| a | 6.0405 ± 0.0008 Å |
| b | 10.323 ± 0.0013 Å |
| c | 16.826 ± 0.002 Å |
| α | 101.079 ± 0.007° |
| β | 92.174 ± 0.006° |
| γ | 101.364 ± 0.007° |
| Cell volume | 1006.3 ± 0.2 Å3 |
| Cell temperature | 313.55 K |
| Ambient diffraction temperature | 313.55 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 | 0.1342 |
| Residual factor for significantly intense reflections | 0.0823 |
| Weighted residual factors for significantly intense reflections | 0.1982 |
| Weighted residual factors for all reflections included in the refinement | 0.2249 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.094 |
| Diffraction radiation wavelength | 1.54187 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 289431 (current) | 2024-02-04 | cif/ Updating files of 1570536, 1570537, 1570538, 1570539, 1570540, 1570541, 1570542, 1570543 Original log message: Adding full bibliography for 1570536--1570543.cif. |
1570540.cif |
| 288228 | 2023-12-12 | cif/ Adding structures of 1570536, 1570537, 1570538, 1570539, 1570540, 1570541, 1570542, 1570543 via cif-deposit CGI script. |
1570540.cif |
All data in the COD and the database itself are dedicated to the
public domain and licensed under the
CC0
License
.
Users of the data should acknowledge the original authors of the
structural data.