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Information card for entry 7236028
Preview
| Coordinates | 7236028.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C26 H27 N O5 |
|---|---|
| Calculated formula | C26 H27 N O5 |
| Title of publication | Intramolecular charge transfer interactions and molecular order of rod like mesogens |
| Authors of publication | Reddy, M. Guruprasad; Lobo, Nitin P.; Varathan, E.; Easwaramoorthi, S.; Narasimhaswamy, T. |
| Journal of publication | RSC Advances |
| Year of publication | 2015 |
| Journal volume | 5 |
| Journal issue | 127 |
| Pages of publication | 105066 |
| a | 9.8058 ± 0.0002 Å |
| b | 15.44 ± 0.0003 Å |
| c | 16.9339 ± 0.0003 Å |
| α | 64.933 ± 0.001° |
| β | 83.409 ± 0.001° |
| γ | 88.318 ± 0.001° |
| Cell volume | 2306.46 ± 0.08 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 2 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 | 0.1539 |
| Residual factor for significantly intense reflections | 0.051 |
| Weighted residual factors for significantly intense reflections | 0.1038 |
| Weighted residual factors for all reflections included in the refinement | 0.1445 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.927 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301866 (current) | 2025-08-23 | Add cross-references to PubChem compounds in COD range 7/23/ Each referenced PubChem compound corresponds to the full crystal structure. |
7236028.cif |
| 233847 | 2019-11-23 | cif/ Adding structures of 7236028 via cif-deposit CGI script. |
7236028.cif |
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Users of the data should acknowledge the original authors of the
structural data.