Information card for entry 7152093

Structure parameters

• Common name: rac-7-hydroxy-2-oxaspiro(5.5)undec-8-en-1-one
• Chemical name: rac-7-hydroxy-2-oxaspiro[5.5]undec-8-en-1-one
• Formula: C10 H14 O3
• Calculated formula: C10 H14 O3
• Title of publication: 6,6-Spiroimine analogs of (-)-gymnodimine A: synthesis and biological evaluation on nicotinic acetylcholine receptors.
• Authors of publication: Duroure, Leslie; Jousseaume, Thierry; Aráoz, Rómulo; Barré, Elvina; Retailleau, Pascal; Chabaud, Laurent; Molgó, Jordi; Guillou, Catherine
• Journal of publication: Organic & biomolecular chemistry
• Year of publication: 2011
• Journal volume: 9
• Journal issue: 23
• Pages of publication: 8112 - 8118
• a: 9.1149 ± 0.0011 Å
• b: 6.9784 ± 0.0008 Å
• c: 14.9231 ± 0.0015 Å
• α: 90°
• β: 98.171 ± 0.007°
• γ: 90°
• Cell volume: 939.58 ± 0.18 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 3
• 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: 0.0682
• Residual factor for significantly intense reflections: 0.0524
• Weighted residual factors for significantly intense reflections: 0.1617
• Weighted residual factors for all reflections included in the refinement: 0.1804
• Goodness-of-fit parameter for all reflections included in the refinement: 1.091
• Diffraction radiation wavelength: 1.54187 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No