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Information card for entry 7052495
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Coordinates | 7052495.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C12 H10 F N2 O |
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Calculated formula | C12 H10 F N2 O |
Title of publication | Crystal engineering of two-dimensional polar layer structures: hydrogen bond networks in some N-meta-phenylpyrimidinones |
Authors of publication | George, Sumod; Nangia, Ashwini; Bagieu-Beucher, Muriel; Masse, René; Nicoud, Jean-François |
Journal of publication | New Journal of Chemistry |
Year of publication | 2003 |
Journal volume | 27 |
Journal issue | 3 |
Pages of publication | 568 |
a | 7.0475 ± 0.001 Å |
b | 7.438 ± 0.003 Å |
c | 20.763 ± 0.004 Å |
α | 90° |
β | 90° |
γ | 90° |
Cell volume | 1088.4 ± 0.5 Å3 |
Cell temperature | 296.2 K |
Ambient diffraction temperature | 296.2 K |
Number of distinct elements | 5 |
Space group number | 62 |
Hermann-Mauguin space group symbol | P n m a |
Hall space group symbol | -P 2ac 2n |
Residual factor for all reflections | 0.087 |
Residual factor for significantly intense reflections | 0.087 |
Weighted residual factors for all reflections | 0.071 |
Weighted residual factors for all reflections included in the refinement | 0.071 |
Goodness-of-fit parameter for all reflections | 2.097 |
Goodness-of-fit parameter for all reflections included in the refinement | 2.1 |
Diffraction radiation wavelength | 0.7107 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/7052495.html
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Users of the data should acknowledge the original authors of the
structural data.