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Information card for entry 2003619
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Coordinates | 2003619.cif |
---|---|
Original IUCr paper | HTML |
Chemical name | 7-Hydroxy-4'-methoxy Flavanone |
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Formula | C16 H14 O4 |
Calculated formula | C16 H14 O4 |
SMILES | COc1ccc(cc1)C1CC(=O)c2c(O1)cc(cc2)O |
Title of publication | 7-Hydroxy-4'-methoxyflavanone |
Authors of publication | Kendi, E.; Özbey, S.; Ertan, R.; Fun, H.-K.; Yip, B.-C. |
Journal of publication | Acta Crystallographica Section C |
Year of publication | 1995 |
Journal volume | 51 |
Journal issue | 7 |
Pages of publication | 1442 - 1444 |
a | 12.841 ± 0.007 Å |
b | 8.113 ± 0.004 Å |
c | 14.219 ± 0.007 Å |
α | 90° |
β | 115.89 ± 0.04° |
γ | 90° |
Cell volume | 1332.6 ± 1.3 Å3 |
Cell temperature | 293 ± 2 K |
Ambient diffraction temperature | 293 ± 2 K |
Number of distinct elements | 3 |
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 | 0.1035 |
Residual factor for significantly intense reflections | 0.0598 |
Weighted residual factors for all reflections | 0.1868 |
Weighted residual factors for significantly intense reflections | 0.1614 |
Goodness-of-fit parameter for all reflections | 1.075 |
Goodness-of-fit parameter for significantly intense reflections | 1.276 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | Yes |
Has Fobs | No |
For the version history of this entry, please navigate to main COD server.
The link is: https://www.crystallography.net/2003619.html
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