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Information card for entry 7233335
Preview
| Coordinates | 7233335.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C25 H31 N3 O6 |
|---|---|
| Calculated formula | C25 H31 N3 O6 |
| Title of publication | Formation of supramolecular single and double helix-like structures from designed tripeptides |
| Authors of publication | Giri, Rajat Subhra; Mandal, Bhubaneswar |
| Journal of publication | CrystEngComm |
| Year of publication | 2019 |
| Journal volume | 21 |
| Journal issue | 37 |
| Pages of publication | 5618 |
| a | 8.3294 ± 0.0006 Å |
| b | 9.6074 ± 0.0007 Å |
| c | 16.413 ± 0.0011 Å |
| α | 86.861 ± 0.005° |
| β | 84.758 ± 0.005° |
| γ | 74.072 ± 0.006° |
| Cell volume | 1257.12 ± 0.16 Å3 |
| Cell temperature | 100 ± 0.1 K |
| Ambient diffraction temperature | 100 ± 0.1 K |
| Number of distinct elements | 4 |
| Space group number | 1 |
| Hermann-Mauguin space group symbol | P 1 |
| Hall space group symbol | P 1 |
| Residual factor for all reflections | 0.0627 |
| Residual factor for significantly intense reflections | 0.0544 |
| Weighted residual factors for significantly intense reflections | 0.1522 |
| Weighted residual factors for all reflections included in the refinement | 0.1694 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.787 |
| 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. |
7233335.cif |
| 223497 | 2019-11-07 | cif/ Updating files of 7233335, 7233336 Original log message: Adding full bibliography for 7233335--7233336.cif. |
7233335.cif |
| 217408 | 2019-08-06 | cif/ Adding structures of 7233335, 7233336 via cif-deposit CGI script. |
7233335.cif |
All data in the COD and the database itself are dedicated to the
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.
Users of the data should acknowledge the original authors of the
structural data.