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Information card for entry 7241640
Preview
| Coordinates | 7241640.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C20 H22 N2 O4 |
|---|---|
| Calculated formula | C20 H22 N2 O4 |
| SMILES | O=C1C(NC(C(=O)NCCC(=O)OC)Cc2ccccc2)=CC=CC=C1 |
| Title of publication | N-Arylated peptide: troponyl residue influences the structure and conformation of N-troponylated-(di/tri)-peptides |
| Authors of publication | Palai, Bibhuti Bhusana; Sharma, Nagendra K. |
| Journal of publication | CrystEngComm |
| Year of publication | 2021 |
| Journal volume | 23 |
| Journal issue | 1 |
| Pages of publication | 131 - 139 |
| a | 9.5709 ± 0.0003 Å |
| b | 9.7281 ± 0.0003 Å |
| c | 11.5654 ± 0.0003 Å |
| α | 72.921 ± 0.003° |
| β | 79.751 ± 0.003° |
| γ | 68.981 ± 0.003° |
| Cell volume | 957.65 ± 0.05 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 2 K |
| Number of distinct elements | 4 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.092 |
| Residual factor for significantly intense reflections | 0.0667 |
| Weighted residual factors for significantly intense reflections | 0.203 |
| Weighted residual factors for all reflections included in the refinement | 0.2267 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.096 |
| 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 |
|---|---|---|---|
| 298703 (current) | 2025-04-03 | cif/7: Fixing Z values and formulae |
7241640.cif |
| 261587 | 2021-02-05 | cif/ Updating files of 7241635, 7241636, 7241637, 7241638, 7241639, 7241640 Original log message: Adding full bibliography for 7241635--7241640.cif. |
7241640.cif |
| 259385 | 2020-12-01 | cif/ Adding structures of 7241635, 7241636, 7241637, 7241638, 7241639, 7241640 via cif-deposit CGI script. |
7241640.cif |
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Users of the data should acknowledge the original authors of the
structural data.