Information card for entry 2008401

Structure parameters

• Chemical name: 5-Hydroxy-cyclooctanone-O-methyl-oxime
• Formula: C9 H17 N O2
• Calculated formula: C9 H17 N O2
• SMILES: N(OC)=C1CCCC(O)CCC1
• Title of publication: 5-Hydroxycyclooctanone <i>O</i>-methyloxime at 293K
• Authors of publication: Boese, Roland; Rademacher, Paul; Bläser, Dieter; Latz, Rüdiger; Bäumen, Anja
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1999
• Journal volume: 55
• Journal issue: 4
• Pages of publication: IUC9900026
• a: 7.215 ± 0.002 Å
• b: 8.209 ± 0.004 Å
• c: 16.542 ± 0.004 Å
• α: 90°
• β: 100.21 ± 0.02°
• γ: 90°
• Cell volume: 964.2 ± 0.6 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.057
• Residual factor for significantly intense reflections: 0.042
• Weighted residual factors for all reflections included in the refinement: 0.132
• Goodness-of-fit parameter for all reflections included in the refinement: 1.027
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes