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Information card for entry 4110298
Preview
Coordinates | 4110298.cif |
---|---|
Original paper (by DOI) | HTML |
Chemical name | Ac-[L-(αMe)Val]7-NHiPr |
---|---|
Formula | C47 H88 N8 O8 |
Calculated formula | C47 H88 N8 O8 |
SMILES | CC(=O)N[C@](C(C)C)(C)C(=O)N[C@](C(C)C)(C)C(=O)N[C@](C(C)C)(C)C(=O)N[C@](C(C)C)(C)C(=O)N[C@](C(C)C)(C)C(=O)N[C@](C(C)C)(C)C(=O)N[C@](C(C)C)(C)C(=O)NC(C)C |
Title of publication | Peptide α/310-Helix Dimorphism in the Crystal State |
Authors of publication | Marco Crisma; Michele Saviano; Alessandro Moretto; Quirinus B. Broxterman; Bernard Kaptein; Claudio Toniolo |
Journal of publication | Journal of the American Chemical Society |
Year of publication | 2007 |
Journal volume | 129 |
Pages of publication | 15471 - 15473 |
a | 24.512 ± 0.006 Å |
b | 10.257 ± 0.002 Å |
c | 34.311 ± 0.009 Å |
α | 90° |
β | 110.95 ± 0.04° |
γ | 90° |
Cell volume | 8056 ± 4 Å3 |
Cell temperature | 293 ± 2 K |
Ambient diffraction temperature | 295 ± 2 K |
Number of distinct elements | 4 |
Space group number | 4 |
Hermann-Mauguin space group symbol | P 1 21 1 |
Hall space group symbol | P 2yb |
Residual factor for all reflections | 0.159 |
Residual factor for significantly intense reflections | 0.1212 |
Weighted residual factors for significantly intense reflections | 0.3041 |
Weighted residual factors for all reflections included in the refinement | 0.3649 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.411 |
Diffraction radiation wavelength | 1.54178 Å |
Diffraction radiation type | CuKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
For the version history of this entry, please navigate to main COD server.
The link is: https://www.crystallography.net/4110298.html
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Users of the data should acknowledge the original authors of the
structural data.