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Information card for entry 1551303
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Coordinates | 1551303.cif |
---|---|
Original paper (by DOI) | HTML |
Common name | HCO-(Adm)3-NHtBu |
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Formula | C38 H56 N4 O4 |
Calculated formula | C38 H56 N4 O4 |
SMILES | C(=O)NC1(C2CC3CC1CC(C2)C3)C(=O)NC1(C2CC3CC1CC(C2)C3)C(=O)NC1(C2CC3CC1CC(C2)C3)C(=O)NC(C)(C)C |
Title of publication | Isolated α-turn and incipient γ-helix |
Authors of publication | M.Mir, Fatemeh; Crisma, Marco; Toniolo, Claudio; Lubell, William D. |
Journal of publication | Chemical Science |
Year of publication | 2019 |
a | 7.7427 ± 0.0003 Å |
b | 10.1 ± 0.0003 Å |
c | 20.7549 ± 0.0007 Å |
α | 90.03 ± 0.001° |
β | 95.713 ± 0.001° |
γ | 90.869 ± 0.001° |
Cell volume | 1614.81 ± 0.1 Å3 |
Cell temperature | 150 K |
Ambient diffraction temperature | 150 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 | 0.0543 |
Residual factor for significantly intense reflections | 0.0495 |
Weighted residual factors for significantly intense reflections | 0.1279 |
Weighted residual factors for all reflections included in the refinement | 0.1319 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.071 |
Diffraction radiation probe | x-ray |
Diffraction radiation wavelength | 1.34139 Å |
Diffraction radiation type | GaKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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