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Information card for entry 7108569
Preview
Coordinates | 7108569.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C23 H26 N4 O5 |
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Calculated formula | C23 H26 N4 O5 |
SMILES | O=C(Nc1c(cccc1)C(=O)N1[C@@H](CCC1)C(=O)NC(C)(C)C)c1c(N(=O)=O)cccc1 |
Title of publication | Multifaceted folding in a foldamer featuring highly cooperative folds |
Authors of publication | Veera V. E. Ramesh; Gowri Priya; Amol S. Kotmale; Rajesh G. Gonnade; Pattuparambil R. Rajamohanan; Gangadhar J. Sanjayan |
Journal of publication | Chem.Commun. |
Year of publication | 2012 |
Journal volume | 48 |
Pages of publication | 11205 |
a | 7.564 ± 0.003 Å |
b | 15.725 ± 0.007 Å |
c | 18.913 ± 0.008 Å |
α | 90° |
β | 90° |
γ | 90° |
Cell volume | 2249.6 ± 1.6 Å3 |
Cell temperature | 100 ± 2 K |
Ambient diffraction temperature | 100 ± 2 K |
Number of distinct elements | 4 |
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 | 0.0447 |
Residual factor for significantly intense reflections | 0.042 |
Weighted residual factors for significantly intense reflections | 0.0871 |
Weighted residual factors for all reflections included in the refinement | 0.0882 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.19 |
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/7108569.html
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Users of the data should acknowledge the original authors of the
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