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Information card for entry 7232689
Preview
| Coordinates | 7232689.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Chemical name | N-(triphenylacetyl)-L-valine |
|---|---|
| Formula | C25 H25 N O3 |
| Calculated formula | C25 H25 N O3 |
| Title of publication | Transfer of chirality in N-triphenylacetylamino acids and chiral derivatives of N-triphenylacetyl Gly–Gly dipeptide and control of their assembly with steric constraints |
| Authors of publication | Bendzińska-Berus, Wioletta; Jelecki, Maciej; Kwit, Marcin; Rychlewska, Urszula |
| Journal of publication | CrystEngComm |
| Year of publication | 2019 |
| Journal volume | 21 |
| Journal issue | 22 |
| Pages of publication | 3420 |
| a | 8.5896 ± 0.0001 Å |
| b | 9.9657 ± 0.0001 Å |
| c | 12.7116 ± 0.0002 Å |
| α | 90° |
| β | 94.914 ± 0.001° |
| γ | 90° |
| Cell volume | 1084.13 ± 0.02 Å3 |
| Cell temperature | 291 ± 1 K |
| Ambient diffraction temperature | 291 ± 1 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 | 0.0352 |
| Residual factor for significantly intense reflections | 0.0347 |
| Weighted residual factors for significantly intense reflections | 0.0911 |
| Weighted residual factors for all reflections included in the refinement | 0.0918 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.035 |
| Diffraction radiation wavelength | 1.54178 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. |
7232689.cif |
| 223495 | 2019-11-07 | cif/ Updating files of 7232683, 7232684, 7232685, 7232686, 7232687, 7232688, 7232689, 7232690, 7232691, 7232692, 7232693, 7232694 Original log message: Adding full bibliography for 7232683--7232694.cif. |
7232689.cif |
| 214867 | 2019-05-01 | cif/ Adding structures of 7232683, 7232684, 7232685, 7232686, 7232687, 7232688, 7232689, 7232690, 7232691, 7232692, 7232693, 7232694 via cif-deposit CGI script. |
7232689.cif |
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Users of the data should acknowledge the original authors of the
structural data.