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Information card for entry 7118769
Preview
Coordinates | 7118769.cif |
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Original paper (by DOI) | HTML |
Formula | C27 H43 N3 O5 |
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Calculated formula | C27 H43 N3 O5 |
SMILES | O=C(N(C(C)(C)C)CC(=O)N(C(C)(C)C)CC(=O)N(C(C)(C)C)CC(=O)OCc1ccccc1)C |
Title of publication | Weak backbone CHO[double bond, length as m-dash]C and side chain tButBu London interactions help promote helix folding of achiral NtBu peptoids. |
Authors of publication | Angelici, G.; Bhattacharjee, N.; Roy, O.; Faure, S.; Didierjean, C.; Jouffret, L.; Jolibois, F.; Perrin, L.; Taillefumier, C. |
Journal of publication | Chemical communications (Cambridge, England) |
Year of publication | 2016 |
Journal volume | 52 |
Journal issue | 24 |
Pages of publication | 4573 - 4576 |
a | 11.0838 ± 0.0003 Å |
b | 50.0332 ± 0.0009 Å |
c | 10.6703 ± 0.0002 Å |
α | 90° |
β | 107.01 ± 0.003° |
γ | 90° |
Cell volume | 5658.4 ± 0.2 Å3 |
Cell temperature | 110 ± 2 K |
Ambient diffraction temperature | 110 ± 2 K |
Number of distinct elements | 4 |
Space group number | 14 |
Hermann-Mauguin space group symbol | P 1 21/c 1 |
Hall space group symbol | -P 2ybc |
Residual factor for all reflections | 0.1086 |
Residual factor for significantly intense reflections | 0.0995 |
Weighted residual factors for significantly intense reflections | 0.2141 |
Weighted residual factors for all reflections included in the refinement | 0.2193 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.128 |
Diffraction radiation wavelength | 1.5418 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/7118769.html
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Users of the data should acknowledge the original authors of the
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