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Information card for entry 4028042
Preview
Coordinates | 4028042.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C24 H43 N5 O7 |
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Calculated formula | C24 H43 N5 O7 |
SMILES | CC(=O)N[C@](C(C)C)(C)C(=O)NC(C)(C)C(=O)NC(C)(C)C(=O)NC(C)(C)C(=O)NC(C)(C)C(=O)O |
Title of publication | Left-Handed Helical Preference in an Achiral Peptide Chain Is Induced by an l-Amino Acid in an N-Terminal Type II β-Turn |
Authors of publication | Matteo De Poli; Marta De Zotti; James Raftery; Juan A. Aguilar; Gareth A. Morris; Jonathan Clayden |
Journal of publication | Journal of Organic Chemistry |
Year of publication | 2013 |
Journal volume | 78 |
Pages of publication | 2248 - 2255 |
a | 11.926 ± 0.002 Å |
b | 8.7132 ± 0.0017 Å |
c | 13.814 ± 0.003 Å |
α | 90° |
β | 94.826 ± 0.004° |
γ | 90° |
Cell volume | 1430.4 ± 0.5 Å3 |
Cell temperature | 100 ± 2 K |
Ambient diffraction temperature | 100 ± 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 | 0.0914 |
Residual factor for significantly intense reflections | 0.0681 |
Weighted residual factors for significantly intense reflections | 0.1087 |
Weighted residual factors for all reflections included in the refinement | 0.1178 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.021 |
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/4028042.html
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