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Information card for entry 7249622
Preview
| Coordinates | 7249622.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C33.05 H56.45 O2 |
|---|---|
| Calculated formula | C32 H54 O2 |
| Title of publication | Structure features of a supramolecular organic framework self-assembled from a chiral natural compound |
| Authors of publication | Khotchasanthong, Kenika; Pootaeng-On, Yupa; Rayanil, Kanok-on; Sukwattanasinitt, Mongkol; Laksee, Sakchai; Chainok, Kittipong |
| Journal of publication | CrystEngComm |
| Year of publication | 2024 |
| a | 32.329 ± 0.0019 Å |
| b | 32.329 ± 0.0019 Å |
| c | 7.1254 ± 0.0005 Å |
| α | 90° |
| β | 90° |
| γ | 120° |
| Cell volume | 6449.5 ± 0.7 Å3 |
| Cell temperature | 296 K |
| Ambient diffraction temperature | 296 K |
| Number of distinct elements | 3 |
| Space group number | 172 |
| Hermann-Mauguin space group symbol | P 64 |
| Hall space group symbol | P 64 |
| Residual factor for all reflections | 0.0646 |
| Residual factor for significantly intense reflections | 0.0426 |
| Weighted residual factors for significantly intense reflections | 0.0958 |
| Weighted residual factors for all reflections included in the refinement | 0.1042 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.978 |
| Diffraction radiation probe | x-ray |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Diffraction radiation X-ray symbol | K-L~3~ |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 296028 (current) | 2024-11-21 | cif/ Adding structures of 7249622 via cif-deposit CGI script. |
7249622.cif |
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Users of the data should acknowledge the original authors of the
structural data.