Information card for entry 4123668

Structure parameters

• Common name: AM-I-17
• Chemical name: sarpong56
• Formula: C10 H16 O2
• Calculated formula: C10 H16 O2
• SMILES: [C@]12(C(=CC[C@@H](C1)[C@@]2(CO)C)C)O
• 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: 7.7371 ± 0.0004 Å
• b: 7.7371 ± 0.0004 Å
• c: 30.9059 ± 0.0014 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1850.11 ± 0.16 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 3
• Space group number: 78
• Hermann-Mauguin space group symbol: P 43
• Hall space group symbol: P 4cw
• Residual factor for all reflections: 0.1146
• Residual factor for significantly intense reflections: 0.0832
• Weighted residual factors for significantly intense reflections: 0.171
• Weighted residual factors for all reflections included in the refinement: 0.1907
• Goodness-of-fit parameter for all reflections included in the refinement: 1.097
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No