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Information card for entry 7220755
Preview
| Coordinates | 7220755.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C24 H23 N O6 |
|---|---|
| Calculated formula | C24 H23 N O6 |
| SMILES | O(CC1c2ccccc2c2ccccc12)C(=O)N[C@H](C(=O)O)Cc1ccc(O)cc1.O |
| Title of publication | Hydrogels formed from Fmoc amino acids |
| Authors of publication | Draper, Emily R.; Morris, Kyle L.; Little, Marc A.; Raeburn, Jaclyn; Colquhoun, Catherine; Cross, Emily R.; McDonald, Tom. O.; Serpell, Louise C.; Adams, Dave J. |
| Journal of publication | CrystEngComm |
| Year of publication | 2015 |
| Journal volume | 17 |
| Journal issue | 42 |
| Pages of publication | 8047 |
| a | 18.64 ± 0.016 Å |
| b | 5.992 ± 0.005 Å |
| c | 18.841 ± 0.015 Å |
| α | 90° |
| β | 98.834 ± 0.016° |
| γ | 90° |
| Cell volume | 2079 ± 3 Å3 |
| Cell temperature | 100 K |
| Ambient diffraction temperature | 100 K |
| Number of distinct elements | 4 |
| Space group number | 5 |
| Hermann-Mauguin space group symbol | C 1 2 1 |
| Hall space group symbol | C 2y |
| Residual factor for all reflections | 0.0389 |
| Residual factor for significantly intense reflections | 0.037 |
| Weighted residual factors for significantly intense reflections | 0.0886 |
| Weighted residual factors for all reflections included in the refinement | 0.0907 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.106 |
| Diffraction radiation probe | x-ray |
| Diffraction radiation wavelength | 0.6889 Å |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301865 (current) | 2025-08-22 | Add cross-references to PubChem compounds in COD range 7/22/ Each referenced PubChem compound corresponds to the full crystal structure. |
7220755.cif |
| 171099 | 2015-12-09 | cif/ Updating files of 7220753, 7220754, 7220755 Original log message: Adding full bibliography for 7220753--7220755.cif. |
7220755.cif |
| 139118 | 2015-06-12 | cif/ Adding structures of 7220753, 7220754, 7220755 via cif-deposit CGI script. |
7220755.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.