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Information card for entry 7151809
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Coordinates | 7151809.cif |
---|---|
Original paper (by DOI) | HTML |
External links | ChemSpider |
Common name | methyl-2-(2-(tert-butoxycarbonylamino)-3-methylbutanamido)-3-phenylpropanoate |
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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 |
---|---|---|---|
202017 (current) | 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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Users of the data should acknowledge the original authors of the
structural data.