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Information card for entry 7242357
Preview
| Coordinates | 7242357.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C24 H32 O3 |
|---|---|
| Calculated formula | C23.9998 H31.9995 O2.9999 |
| Title of publication | Epimers with distinct mechanical behaviours |
| Authors of publication | Khandavilli, Udaya B. Rao; Buckley, Aoife M.; Maguire, Anita R.; Kiran, Mangalampalli S. R. N.; Ramamurty, Upadrasta; Lawrence, Simon E. |
| Journal of publication | CrystEngComm |
| Year of publication | 2021 |
| Journal volume | 23 |
| Journal issue | 34 |
| Pages of publication | 5848 - 5855 |
| a | 6.6418 ± 0.0001 Å |
| b | 15.8771 ± 0.0003 Å |
| c | 20.7515 ± 0.0004 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 2188.3 ± 0.07 Å3 |
| Cell temperature | 296 ± 2 K |
| Ambient diffraction temperature | 296 ± 2 K |
| Number of distinct elements | 3 |
| Space group number | 19 |
| Hermann-Mauguin space group symbol | P 21 21 21 |
| Hall space group symbol | P 2ac 2ab |
| Residual factor for all reflections | 0.0413 |
| Residual factor for significantly intense reflections | 0.0405 |
| Weighted residual factors for significantly intense reflections | 0.1162 |
| Weighted residual factors for all reflections included in the refinement | 0.1174 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.033 |
| Diffraction radiation wavelength | 1.54178 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 268680 (current) | 2021-09-06 | cif/ Updating files of 7242352, 7242353, 7242354, 7242355, 7242356, 7242357, 7242358, 7242359 Original log message: Adding full bibliography for 7242352--7242359.cif. |
7242357.cif |
| 262783 | 2021-03-06 | cif/ Adding structures of 7242352, 7242353, 7242354, 7242355, 7242356, 7242357, 7242358, 7242359 via cif-deposit CGI script. |
7242357.cif |
All data in the COD and the database itself are dedicated to the
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CC0
License
.
Users of the data should acknowledge the original authors of the
structural data.