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Information card for entry 7224323
Preview
Coordinates | 7224323.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C35 H28 N6 O4 |
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Calculated formula | C35 H28 N6 O4 |
SMILES | O=C(Nc1ccccc1NC(=O)c1ccccc1)c1nc(C(=O)Nc2c(NC(=O)c3ccccc3)cccc2)ccc1.N#CC |
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 | 13.934 ± 0.003 Å |
b | 19.167 ± 0.0019 Å |
c | 11.1543 ± 0.0014 Å |
α | 90° |
β | 94.855 ± 0.018° |
γ | 90° |
Cell volume | 2968.3 ± 0.8 Å3 |
Cell temperature | 123 ± 2 K |
Ambient diffraction temperature | 123 ± 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 | 0.1041 |
Residual factor for significantly intense reflections | 0.0591 |
Weighted residual factors for significantly intense reflections | 0.1209 |
Weighted residual factors for all reflections included in the refinement | 0.1499 |
Goodness-of-fit parameter for all reflections included in the refinement | 0.952 |
Diffraction radiation wavelength | 1.54184 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/7224323.html
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