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Information card for entry 7224330
Preview
Coordinates | 7224330.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C38 H33 N7 O5 |
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Calculated formula | C38 H33 N7 O5 |
SMILES | O=C(Nc1ccccc1NC(=O)c1nc(ccc1)C(=O)Nc1ccccc1NC(=O)c1ccc(cc1)C#N)c1ccccc1.O=C(N(C)C)C |
Title of publication | Conformational properties and folding analysis of a series of seven oligoamide foldamers |
Authors of publication | Suhonen, Aku; Kortelainen, Minna; Nauha, Elisa; Yliniemelä-Sipari, Sanna; Pihko, Petri M.; Nissinen, Maija |
Journal of publication | CrystEngComm |
Year of publication | 2016 |
Journal volume | 18 |
Journal issue | 11 |
Pages of publication | 2005 |
a | 12.1856 ± 0.0005 Å |
b | 20.3897 ± 0.0008 Å |
c | 13.7195 ± 0.0005 Å |
α | 90° |
β | 95.426 ± 0.003° |
γ | 90° |
Cell volume | 3393.5 ± 0.2 Å3 |
Cell temperature | 173 ± 2 K |
Ambient diffraction temperature | 173 ± 2 K |
Number of distinct elements | 4 |
Space group number | 14 |
Hermann-Mauguin space group symbol | P 1 21/n 1 |
Hall space group symbol | -P 2yn |
Residual factor for all reflections | 0.1275 |
Residual factor for significantly intense reflections | 0.0703 |
Weighted residual factors for significantly intense reflections | 0.1653 |
Weighted residual factors for all reflections included in the refinement | 0.2001 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.021 |
Diffraction radiation wavelength | 1.54178 Å |
Diffraction radiation type | CuKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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