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Information card for entry 7108371
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Coordinates | 7108371.cif |
---|---|
Original paper (by DOI) | HTML |
Common name | Peptide |
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Formula | C19 H20 Br N3 O4 S |
Calculated formula | C19 H20 Br N3 O4 S |
SMILES | Brc1ccc(NC(=O)[C@H]2N(S(=O)(=O)c3c(NC(=O)C)cccc3)CCC2)cc1 |
Title of publication | An unusual conformational similarity of two peptide folds featuring sulfonamide and carboxamide on the backbone |
Authors of publication | Kuruppanthara N. Vijayadas; Hilda C. Davis; Amol S. Kotmale; Rupesh L. Gawade; Vedavati G. Puranik; Pattuparambil R. Rajamohanan; Gangadhar J. Sanjayan |
Journal of publication | Chem.Commun. |
Year of publication | 2012 |
Journal volume | 48 |
Pages of publication | 9747 |
a | 9.338 ± 0.0006 Å |
b | 13.9088 ± 0.0009 Å |
c | 15.438 ± 0.001 Å |
α | 90° |
β | 90° |
γ | 90° |
Cell volume | 2005.1 ± 0.2 Å3 |
Cell temperature | 273 ± 2 K |
Ambient diffraction temperature | 273 ± 2 K |
Number of distinct elements | 6 |
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 | 0.0427 |
Residual factor for significantly intense reflections | 0.0352 |
Weighted residual factors for significantly intense reflections | 0.081 |
Weighted residual factors for all reflections included in the refinement | 0.085 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.018 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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The link is: https://www.crystallography.net/7108371.html
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