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Information card for entry 7213174
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Coordinates | 7213174.cif |
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Original paper (by DOI) | HTML |
Chemical name | N-phenyl-2-(S)-fluoropropionamide with ca. 10% of N-phenyl-2-(R)-fluoropropionamide |
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Formula | C9 H10 F N O |
Calculated formula | C9 H10 F N O |
Title of publication | The preferred conformation of α-fluoroamides |
Authors of publication | Banks, John W.; Batsanov, Andrei S.; Howard, Judith A. K.; O’Hagan, David; Rzepa, Henry S.; Martin-Santamaria, Sonsoles |
Journal of publication | Journal of the Chemical Society, Perkin Transactions 2 |
Year of publication | 1999 |
Journal issue | 11 |
Pages of publication | 2409 |
a | 5.367 ± 0.001 Å |
b | 8.821 ± 0.004 Å |
c | 9.893 ± 0.003 Å |
α | 106.65 ± 0.02° |
β | 101.84 ± 0.02° |
γ | 105.13 ± 0.02° |
Cell volume | 412.8 ± 0.3 Å3 |
Cell temperature | 150 ± 2 K |
Ambient diffraction temperature | 150 ± 2 K |
Number of distinct elements | 5 |
Space group number | 1 |
Hermann-Mauguin space group symbol | P 1 |
Hall space group symbol | P 1 |
Residual factor for all reflections | 0.0492 |
Residual factor for significantly intense reflections | 0.0431 |
Weighted residual factors for all reflections | 0.1536 |
Weighted residual factors for significantly intense reflections | 0.1122 |
Goodness-of-fit parameter for all reflections | 1.092 |
Goodness-of-fit parameter for significantly intense reflections | 1.098 |
Diffraction radiation wavelength | 1.54184 Å |
Diffraction radiation type | CuKα |
Has coordinates | Yes |
Has disorder | Yes |
Has Fobs | No |
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The link is: https://www.crystallography.net/7213174.html
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