Information card for entry 2103731

Structure parameters

• Formula: C6 H11 N O
• Calculated formula: C6 H10.35 N O
• Title of publication: Self-association and stereochemistry study of 2-methylthio-, 2-dimethylaminocyclohexanone oximes and the parent cyclohexanone oxime
• Authors of publication: Olivato, Paulo R.; Ribeiro, Douglas S.; Zukerman-Schpector, J.; Bombieri, Gabriella
• Journal of publication: Acta Crystallographica Section B
• Year of publication: 2001
• Journal volume: 57
• Journal issue: 5
• Pages of publication: 705 - 713
• a: 20.983 ± 0.0003 Å
• b: 20.983 ± 0.0003 Å
• c: 7.621 ± 0.0001 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 2905.88 ± 0.07 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• Space group number: 143
• Hermann-Mauguin space group symbol: P 3
• Hall space group symbol: P 3
• Residual factor for all reflections: 0.1006
• Residual factor for significantly intense reflections: 0.0925
• Weighted residual factors for all reflections included in the refinement: 0.27
• Goodness-of-fit parameter for all reflections included in the refinement: 1.053
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No