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Information card for entry 7247601
Preview
| Coordinates | 7247601.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C30 H44 N2 O2 |
|---|---|
| Calculated formula | C30 H44 N2 O2 |
| Title of publication | Linker size dependent mechanical properties of di-imine based molecular crystals |
| Authors of publication | Manoharan, Deepak; Ahmad, Shamim; Tothadi, Srinu; Emmerling, Franziska; Bhattacharya, Biswajit; Ghosh, Soumyajit |
| Journal of publication | CrystEngComm |
| Year of publication | 2023 |
| Journal volume | 25 |
| Journal issue | 46 |
| Pages of publication | 6416 - 6423 |
| a | 6.447 ± 0.0015 Å |
| b | 10.416 ± 0.003 Å |
| c | 11.367 ± 0.003 Å |
| α | 82.665 ± 0.01° |
| β | 87.026 ± 0.01° |
| γ | 72.301 ± 0.009° |
| Cell volume | 721.2 ± 0.3 Å3 |
| Cell temperature | 298 ± 2 K |
| Ambient diffraction temperature | 298 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 | 0.1117 |
| Residual factor for significantly intense reflections | 0.0645 |
| Weighted residual factors for significantly intense reflections | 0.1514 |
| Weighted residual factors for all reflections included in the refinement | 0.177 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.028 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 288784 (current) | 2024-01-06 | cif/ Updating files of 7247601, 7247602, 7247603, 7247604 Original log message: Adding full bibliography for 7247601--7247604.cif. |
7247601.cif |
| 287182 | 2023-11-01 | cif/ Adding structures of 7247601, 7247602, 7247603, 7247604 via cif-deposit CGI script. |
7247601.cif |
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Users of the data should acknowledge the original authors of the
structural data.