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Information card for entry 7234081
Preview
| Coordinates | 7234081.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C48 H51 N9 O6 |
|---|---|
| Calculated formula | C48 H51 N9 O6 |
| SMILES | Oc1cc(O)cc(O)c1.O(c1ccc(/N=N/c2ccncc2)cc1)CCC.O(c1ccc(/N=N/c2ccncc2)cc1)CCC.O(c1ccc(/N=N/c2ccncc2)cc1)CCC |
| Title of publication | Tuning the photonic properties of chiral nematic mesoporous organosilica with hydrogen-bonded liquid-crystalline assemblies |
| Authors of publication | Michael Giese; Tim Krappitz; Ronald Y. Dong; Carl A. Michal; Wadood Y. Hamad; Brian O. Patrick; Mark J. MacLachlan |
| Journal of publication | Journal of Materials Chemistry C |
| Year of publication | 2015 |
| Journal volume | 3 |
| Pages of publication | 1537 - 1545 |
| a | 12.4651 ± 0.0011 Å |
| b | 14.1037 ± 0.0012 Å |
| c | 24.879 ± 0.002 Å |
| α | 90° |
| β | 98.502 ± 0.002° |
| γ | 90° |
| Cell volume | 4325.8 ± 0.6 Å3 |
| Cell temperature | 90 ± 0.2 K |
| Ambient diffraction temperature | 90 ± 0.2 K |
| Number of distinct elements | 4 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/n 1 |
| Hall space group symbol | -P 2yn |
| Residual factor for all reflections | 0.0575 |
| Residual factor for significantly intense reflections | 0.0414 |
| Weighted residual factors for significantly intense reflections | 0.1058 |
| Weighted residual factors for all reflections included in the refinement | 0.1171 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.032 |
| 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. |
7234081.cif |
| 218735 | 2019-09-23 | cif/ Adding structures of 7234080, 7234081 via cif-deposit CGI script. |
7234081.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.