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Information card for entry 8106646
Preview
Coordinates | 8106646.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C9 H13 F O5 S |
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Calculated formula | C9 H13 F O5 S |
Title of publication | Crystal structure of methyl 1-(2-(fluorosulfonyl)ethyl)-2-oxocyclopentanecarboxylate, C9H13FO5S |
Authors of publication | Govender, Kimberleigh B.; Samipillai, Marivel; Govender, Thavendran; Kruger, Hendrik G.; Naicker, Tricia |
Journal of publication | Zeitschrift für Kristallographie - New Crystal Structures |
Year of publication | 2017 |
Journal volume | 232 |
Journal issue | 4 |
Pages of publication | 697 - 698 |
a | 5.939 ± 0.0003 Å |
b | 8.1581 ± 0.0004 Å |
c | 11.3823 ± 0.0008 Å |
α | 89.498 ± 0.003° |
β | 85.314 ± 0.005° |
γ | 84.916 ± 0.005° |
Cell volume | 547.48 ± 0.05 Å3 |
Cell temperature | 293 ± 2 K |
Ambient diffraction temperature | 293 ± 2 K |
Number of distinct elements | 5 |
Space group number | 2 |
Hermann-Mauguin space group symbol | P -1 |
Hall space group symbol | -P 1 |
Residual factor for all reflections | 0.0325 |
Residual factor for significantly intense reflections | 0.0303 |
Weighted residual factors for significantly intense reflections | 0.0792 |
Weighted residual factors for all reflections included in the refinement | 0.0811 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.034 |
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/8106646.html
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