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Information card for entry 7231834
Preview
| Coordinates | 7231834.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C26 H33 N3 O6 |
|---|---|
| Calculated formula | C26 H33 N3 O6 |
| Title of publication | Unique crystallographic signatures of Boc-Gly-Phe-Phe-OMe and Boc-Gly-Phg-Phe-OMe and their self-association |
| Authors of publication | Giri, Rajat Subhra; Mandal, Bhubaneswar |
| Journal of publication | CrystEngComm |
| Year of publication | 2019 |
| Journal volume | 21 |
| Journal issue | 2 |
| Pages of publication | 236 |
| a | 15.407 ± 0.002 Å |
| b | 5.8843 ± 0.0006 Å |
| c | 15.664 ± 0.002 Å |
| α | 90° |
| β | 114.753 ± 0.018° |
| γ | 90° |
| Cell volume | 1289.6 ± 0.3 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 2 K |
| Number of distinct elements | 4 |
| Space group number | 4 |
| Hermann-Mauguin space group symbol | P 1 21 1 |
| Hall space group symbol | P 2yb |
| Residual factor for all reflections | 0.1038 |
| Residual factor for significantly intense reflections | 0.0721 |
| Weighted residual factors for significantly intense reflections | 0.1949 |
| Weighted residual factors for all reflections included in the refinement | 0.2202 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.029 |
| 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. |
7231834.cif |
| 223593 | 2019-11-07 | cif/ Updating files of 7231834, 7231835 Original log message: Adding full bibliography for 7231834--7231835.cif. |
7231834.cif |
| 212079 | 2018-11-21 | cif/ Adding structures of 7231834, 7231835 via cif-deposit CGI script. |
7231834.cif |
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Users of the data should acknowledge the original authors of the
structural data.