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Information card for entry 7108413
Preview
Coordinates | 7108413.cif |
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Original paper (by DOI) | HTML |
Formula | C20 H6 F10 N2 O2 |
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Calculated formula | C20 H6 F10 N2 O2 |
SMILES | Fc1c(C(=O)Nc2ccccc2NC(=O)c2c(F)c(F)c(F)c(F)c2F)c(F)c(F)c(F)c1F |
Title of publication | Cooperativity of H-bonding and anion-pi interaction in the binding of anions with neutral pi-acceptors |
Authors of publication | Michael Giese; Markus Albrecht; Tim Krappitz; Marius Peters; Verena Gossen; Gerhard Raabe; Arto Valkonen; Kari Rissanen |
Journal of publication | Chem.Commun. |
Year of publication | 2012 |
Journal volume | 48 |
Pages of publication | 9983 |
a | 4.9394 ± 0.0002 Å |
b | 10.5985 ± 0.0005 Å |
c | 17.8123 ± 0.0008 Å |
α | 101.134 ± 0.003° |
β | 97.114 ± 0.002° |
γ | 91.72 ± 0.003° |
Cell volume | 906.49 ± 0.07 Å3 |
Cell temperature | 123 ± 2 K |
Ambient diffraction temperature | 123 ± 2 K |
Number of distinct elements | 5 |
Space group number | 2 |
Hermann-Mauguin space group symbol | P -1 |
Hall space group symbol | -P 1 |
Residual factor for all reflections | 0.106 |
Residual factor for significantly intense reflections | 0.0612 |
Weighted residual factors for significantly intense reflections | 0.1198 |
Weighted residual factors for all reflections included in the refinement | 0.1375 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.065 |
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/7108413.html
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Users of the data should acknowledge the original authors of the
structural data.