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Information card for entry 8104914
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Coordinates | 8104914.cif |
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Original paper (by DOI) | HTML |
Common name | 2,6-difluorophenol |
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Chemical name | 2,6-difluorophenol |
Formula | C6 H4 F2 O |
Calculated formula | C6 H4 F2 O |
Title of publication | The crystal structure of 2,6-difluorophenol, C6H4F2O |
Authors of publication | Manana, Pholani; Cuthbertson, Jarryd; Hosten, Eric C.; Betz, Richard |
Journal of publication | Zeitschrift für Kristallographie - New Crystal Structures |
Year of publication | 2021 |
Journal volume | 236 |
Journal issue | 1 |
Pages of publication | 177 - 178 |
a | 4.9287 ± 0.0005 Å |
b | 10.1752 ± 0.0008 Å |
c | 10.9156 ± 0.001 Å |
α | 90° |
β | 90° |
γ | 90° |
Cell volume | 547.42 ± 0.09 Å3 |
Cell temperature | 200 ± 2 K |
Ambient diffraction temperature | 200 ± 2 K |
Number of distinct elements | 4 |
Space group number | 19 |
Hermann-Mauguin space group symbol | P 21 21 21 |
Hall space group symbol | P 2ac 2ab |
Residual factor for all reflections | 0.0264 |
Residual factor for significantly intense reflections | 0.0248 |
Weighted residual factors for significantly intense reflections | 0.0688 |
Weighted residual factors for all reflections included in the refinement | 0.0705 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.094 |
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/8104914.html
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