Information card for entry 2242287

Structure parameters

• Chemical name: Potassium <i>trans</i>-bicyclo[5.1.0]octane-4-carboxylate monohydrate
• Formula: C9 H15 K O3
• Calculated formula: C9 H15 K O3
• Title of publication: Crystal structures of two bicyclo[5.1.0]octanes: potassium <i>trans</i>-bicyclo[5.1.0]octane-4-carboxylate monohydrate and <i>cis</i>-bicyclo[5.1.0]octan-4-yl 4-bromobenzenesulfonate
• Authors of publication: Corfield, Peter W. R.; Kershaw, Richard A.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2017
• Journal volume: 73
• Journal issue: 9
• Pages of publication: 1357 - 1362
• a: 16.148 ± 0.013 Å
• b: 8.631 ± 0.009 Å
• c: 7.674 ± 0.01 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1070 ± 2 ų
• Cell temperature: 297 ± 2 K
• Ambient diffraction temperature: 297 ± 2 K
• Number of distinct elements: 4
• Space group number: 57
• Hermann-Mauguin space group symbol: P b c m
• Hall space group symbol: -P 2c 2b
• Residual factor for all reflections: 0.0562
• Residual factor for significantly intense reflections: 0.0341
• Weighted residual factors for significantly intense reflections: 0.0856
• Weighted residual factors for all reflections included in the refinement: 0.096
• Goodness-of-fit parameter for all reflections included in the refinement: 1.004
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No