Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 7247603
Preview
| Coordinates | 7247603.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C32 H48 N2 O2 |
|---|---|
| Calculated formula | C32 H48 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 | 18.8769 ± 0.0008 Å |
| b | 6.1559 ± 0.0002 Å |
| c | 26.9215 ± 0.0011 Å |
| α | 90° |
| β | 106.511 ± 0.003° |
| γ | 90° |
| Cell volume | 2999.4 ± 0.2 Å3 |
| Cell temperature | 150 K |
| Ambient diffraction temperature | 150 K |
| Number of distinct elements | 4 |
| Space group number | 15 |
| Hermann-Mauguin space group symbol | C 1 2/c 1 |
| Hall space group symbol | -C 2yc |
| Residual factor for all reflections | 0.0583 |
| Residual factor for significantly intense reflections | 0.0512 |
| Weighted residual factors for significantly intense reflections | 0.1326 |
| Weighted residual factors for all reflections included in the refinement | 0.1405 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.04 |
| 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. |
7247603.cif |
| 287182 | 2023-11-01 | cif/ Adding structures of 7247601, 7247602, 7247603, 7247604 via cif-deposit CGI script. |
7247603.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.