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Information card for entry 7232430
Preview
| Coordinates | 7232430.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C22 H31 N5 O2 |
|---|---|
| Calculated formula | C22 H31 N5 O2 |
| Title of publication | The role of the side chain in the conformational and self-assembly patterns of C2-symmetric Val and Phe pseudopeptidic derivatives |
| Authors of publication | Gorla, Lingaraju; Martí-Centelles, Vicente; Altava, Belén; Burguete, M. Isabel; Luis, Santiago V. |
| Journal of publication | CrystEngComm |
| Year of publication | 2019 |
| Journal volume | 21 |
| Journal issue | 14 |
| Pages of publication | 2398 |
| a | 5.01883 ± 0.00014 Å |
| b | 16.5007 ± 0.0005 Å |
| c | 25.5451 ± 0.0007 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 2115.5 ± 0.1 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 2 K |
| Number of distinct elements | 4 |
| Space group number | 18 |
| Hermann-Mauguin space group symbol | P 2 21 21 |
| Hall space group symbol | P 2bc 2 |
| Residual factor for all reflections | 0.0451 |
| Residual factor for significantly intense reflections | 0.0404 |
| Weighted residual factors for significantly intense reflections | 0.1084 |
| Weighted residual factors for all reflections included in the refinement | 0.1119 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.036 |
| Diffraction radiation probe | x-ray |
| Diffraction radiation wavelength | 1.54184 Å |
| Diffraction radiation type | CuKα |
| 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. |
7232430.cif |
| 223650 | 2019-11-07 | cif/ Updating files of 7232425, 7232426, 7232427, 7232428, 7232429, 7232430 Original log message: Adding full bibliography for 7232425--7232430.cif. |
7232430.cif |
| 213772 | 2019-02-22 | cif/ Adding structures of 7232425, 7232426, 7232427, 7232428, 7232429, 7232430 via cif-deposit CGI script. |
7232430.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.