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Information card for entry 7154086
Preview
| Coordinates | 7154086.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C25 H23 F N2 O2 |
|---|---|
| Calculated formula | C25 H23 F N2 O2 |
| SMILES | Fc1c(CN2CCC[C@H]2C(=O)Nc2ccccc2C(=O)c2ccccc2)cccc1 |
| Title of publication | Robust asymmetric synthesis of unnatural alkenyl amino acids for conformationally constrained α-helix peptides. |
| Authors of publication | Aillard, Boris; Robertson, Naomi S.; Baldwin, Adam R.; Robins, Siobhan; Jamieson, Andrew G. |
| Journal of publication | Organic & biomolecular chemistry |
| Year of publication | 2014 |
| Journal volume | 12 |
| Journal issue | 43 |
| Pages of publication | 8775 - 8782 |
| a | 8.2975 ± 0.0016 Å |
| b | 11.26 ± 0.002 Å |
| c | 21.17 ± 0.004 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 1977.9 ± 0.6 Å3 |
| Cell temperature | 150 ± 2 K |
| Ambient diffraction temperature | 150 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 19 |
| Hermann-Mauguin space group symbol | P 21 21 21 |
| Hall space group symbol | P 2ac 2ab |
| Residual factor for all reflections | 0.0508 |
| Residual factor for significantly intense reflections | 0.0407 |
| Weighted residual factors for significantly intense reflections | 0.0787 |
| Weighted residual factors for all reflections included in the refinement | 0.0819 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.004 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301861 (current) | 2025-08-22 | Add cross-references to PubChem compounds in COD range 7/15/ Each referenced PubChem compound corresponds to the full crystal structure. |
7154086.cif |
| 180326 | 2016-03-26 | cif/7/15/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/15/40. |
7154086.cif |
| 126548 | 2014-11-06 | cif/ Updating files of 7154086, 7154087, 7154088, 7154089, 7154090, 7154091 Original log message: Adding full bibliography for 7154086--7154091.cif. |
7154086.cif |
| 123921 | 2014-09-17 | cif/ Adding structures of 7154086, 7154087, 7154088, 7154089, 7154090, 7154091 via cif-deposit CGI script. |
7154086.cif |
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Users of the data should acknowledge the original authors of the
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