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Information card for entry 4116610
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Coordinates | 4116610.cif |
---|---|
Original paper (by DOI) | HTML |
Chemical name | Ac-TOAC-(Aib)2-TOAC-Aib-OtBu dihydrate |
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Formula | C38 H71 N7 O11 |
Calculated formula | C38 H71 N7 O11 |
Title of publication | First Interchain Peptide Interaction Detected by ESR in Fully Synthetic, Template-Assisted, Two-Helix Bundles |
Authors of publication | Alessandra Polese; D. Joe Anderson; Glenn Millhauser; Fernando Formaggio; Marco Crisma; Fernando Marchiori; Claudio Toniolo |
Journal of publication | Journal of the American Chemical Society |
Year of publication | 1999 |
Journal volume | 121 |
Pages of publication | 11071 - 11078 |
a | 10.435 ± 0.002 Å |
b | 20.878 ± 0.003 Å |
c | 24.207 ± 0.003 Å |
α | 68.4 ± 0.1° |
β | 89.1 ± 0.1° |
γ | 82.8 ± 0.1° |
Cell volume | 4862 ± 4 Å3 |
Cell temperature | 293 ± 2 K |
Ambient diffraction temperature | 293 ± 2 K |
Number of distinct elements | 4 |
Space group number | 2 |
Hermann-Mauguin space group symbol | P -1 |
Hall space group symbol | -P 1 |
Residual factor for all reflections | 0.1749 |
Residual factor for significantly intense reflections | 0.0834 |
Weighted residual factors for significantly intense reflections | 0.2063 |
Weighted residual factors for all reflections included in the refinement | 0.2472 |
Goodness-of-fit parameter for all reflections included in the refinement | 0.896 |
Diffraction radiation wavelength | 1.54178 Å |
Diffraction radiation type | CuKα |
Has coordinates | Yes |
Has disorder | Yes |
Has Fobs | No |
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The link is: https://www.crystallography.net/4116610.html
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