Information card for entry 4123665

Structure parameters

• Common name: AM-I-116B
• Chemical name: sarpong79
• Formula: C10 H16 O3
• Calculated formula: C10 H16 O3
• SMILES: [C@@]1([C@@H]2CC(=O)[C@]1([C@H](C2)O)C)(C)CO
• Title of publication: Selective C-C and C-h bond activation/cleavage of pinene derivatives: synthesis of enantiopure cyclohexenone scaffolds and mechanistic insights.
• Authors of publication: Masarwa, Ahmad; Weber, Manuel; Sarpong, Richmond
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2015
• Journal volume: 137
• Journal issue: 19
• Pages of publication: 6327 - 6334
• a: 6.94 ± 0.0004 Å
• b: 12.1429 ± 0.0007 Å
• c: 11.5499 ± 0.0006 Å
• α: 90°
• β: 93.316 ± 0.002°
• γ: 90°
• Cell volume: 971.7 ± 0.09 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 3
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0256
• Residual factor for significantly intense reflections: 0.0254
• Weighted residual factors for significantly intense reflections: 0.067
• Weighted residual factors for all reflections included in the refinement: 0.0672
• Goodness-of-fit parameter for all reflections included in the refinement: 1.027
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No