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Information card for entry 7151809
Preview
| Coordinates | 7151809.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | ChemSpider; PubChem |
| Common name | methyl-2-(2-(tert-butoxycarbonylamino)-3-methylbutanamido)-3-phenylpropanoate |
|---|---|
| Formula | C20 H30 N2 O5 |
| Calculated formula | C20 H30 N2 O5 |
| SMILES | O(C(C)(C)C)C(=O)N[C@H](C(=O)N[C@@H](Cc1ccccc1)C(=O)OC)C(C)C |
| Title of publication | An amyloid-like fibril-forming supramolecular cross-β-structure of a model peptide: a crystallographic insight. |
| Authors of publication | Maity, Sibaprasad; Kumar, Pankaj; Haldar, Debasish |
| Journal of publication | Organic & biomolecular chemistry |
| Year of publication | 2011 |
| Journal volume | 9 |
| Journal issue | 10 |
| Pages of publication | 3787 - 3791 |
| a | 5.1057 ± 0.0005 Å |
| b | 10.2051 ± 0.0012 Å |
| c | 40.956 ± 0.004 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 2134 ± 0.4 Å3 |
| Cell temperature | 296 ± 2 K |
| Ambient diffraction temperature | 296 ± 2 K |
| Number of distinct elements | 4 |
| 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 | 0.0694 |
| Residual factor for significantly intense reflections | 0.0453 |
| Weighted residual factors for significantly intense reflections | 0.1091 |
| Weighted residual factors for all reflections included in the refinement | 0.1315 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.938 |
| 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. |
7151809.cif |
| 202017 | 2017-10-14 | cif/ Marking COD entries in range 7 that are known to be related to ChemSpider entries using the _cod_related_entry data loop. |
7151809.cif |
| 180304 | 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 7/15/18. |
7151809.cif |
| 120443 | 2014-07-15 | Adding 17924 DOIs guessed from source file names. | 7151809.cif |
| 35909 | 2012-02-26 | cif/7/: reorganising range 7 into a prefix-directory tree. | 7151809.cif |
| 21273 | 2011-06-22 | ../uploads/cif-deposit/cod/cif Adding structures of 7151809 via cif-deposit CGI script. |
7151809.cif |
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