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Information card for entry 7239327
Preview
| Coordinates | 7239327.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C27 H30 N6 |
|---|---|
| Calculated formula | C27 H30 N6 |
| Title of publication | Effective cholesteric liquid crystal inducers based on axially chiral alleno-acetylenes |
| Authors of publication | Wezenberg, Sander J.; Ferroni, Fiammetta; Pieraccini, Silvia; Schweizer, W. Bernd; Ferrarini, Alberta; Spada, Gian Piero; Diederich, François |
| Journal of publication | RSC Advances |
| Year of publication | 2013 |
| Journal volume | 3 |
| Journal issue | 45 |
| Pages of publication | 22845 |
| a | 11.2921 ± 0.0006 Å |
| b | 18.9103 ± 0.0013 Å |
| c | 11.3518 ± 0.0008 Å |
| α | 90° |
| β | 96.286 ± 0.004° |
| γ | 90° |
| Cell volume | 2409.5 ± 0.3 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 2 K |
| Number of distinct elements | 3 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/c 1 |
| Hall space group symbol | -P 2ybc |
| Residual factor for all reflections | 0.1081 |
| Residual factor for significantly intense reflections | 0.0494 |
| Weighted residual factors for significantly intense reflections | 0.0911 |
| Weighted residual factors for all reflections included in the refinement | 0.1101 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.985 |
| 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. |
7239327.cif |
| 244654 | 2019-11-28 | cif/ Adding structures of 7239327, 7239328 via cif-deposit CGI script. |
7239327.cif |
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Users of the data should acknowledge the original authors of the
structural data.