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Information card for entry 7244747
Preview
Coordinates | 7244747.cif |
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Original paper (by DOI) | HTML |
Chemical name | 5-Fluoro-3-morpholin-4-yl-2,1-benzoxaborol-1(3H)-ol |
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Formula | C11 H13 B F N O3 |
Calculated formula | C11 H13 B F N O3 |
Title of publication | Effect of substituents in novel bioactive tavaborole derivatives on intermolecular interactions hierarchy |
Authors of publication | Dąbrowska, Anna Maria; Adamczyk-Woźniak, Agnieszka; Madura, Izabela Dorota |
Journal of publication | CrystEngComm |
Year of publication | 2022 |
a | 6.1181 ± 0.0003 Å |
b | 9.4155 ± 0.0004 Å |
c | 10.1914 ± 0.0004 Å |
α | 99.383 ± 0.003° |
β | 100.605 ± 0.004° |
γ | 91.22 ± 0.004° |
Cell volume | 568.53 ± 0.04 Å3 |
Cell temperature | 293 ± 2 K |
Ambient diffraction temperature | 293 ± 2 K |
Number of distinct elements | 6 |
Space group number | 2 |
Hermann-Mauguin space group symbol | P -1 |
Hall space group symbol | -P 1 |
Residual factor for all reflections | 0.0435 |
Residual factor for significantly intense reflections | 0.0338 |
Weighted residual factors for significantly intense reflections | 0.0866 |
Weighted residual factors for all reflections included in the refinement | 0.0922 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.065 |
Diffraction radiation probe | x-ray |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
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/7244747.html
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