Information card for entry 7125256

Structure parameters

• Formula: C15 H18 O2
• Calculated formula: C15 H18 O2
• Title of publication: Diastereoselective construction of cyclopent-2-enone-4-ols from aldehydes and 1,2-allenones catalyzed by N-heterocyclic carbene.
• Authors of publication: Ma, Dengke; Fu, Chunling; Ma, Shengming
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2016
• Journal volume: 52
• Journal issue: 100
• Pages of publication: 14426 - 14429
• a: 6.3004 ± 0.0005 Å
• b: 8.2192 ± 0.0008 Å
• c: 25.844 ± 0.002 Å
• α: 90°
• β: 94.486 ± 0.008°
• γ: 90°
• Cell volume: 1334.2 ± 0.2 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293.15 K
• Number of distinct elements: 3
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0996
• Residual factor for significantly intense reflections: 0.0511
• Weighted residual factors for significantly intense reflections: 0.1076
• Weighted residual factors for all reflections included in the refinement: 0.1295
• Goodness-of-fit parameter for all reflections included in the refinement: 0.998
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No