Information card for entry 4032985

Structure parameters

• Formula: C10 H12 O2
• Calculated formula: C10 H12 O2
• SMILES: O[C@]1(C[C@H](O)c2ccccc12)C
• Title of publication: One-Pot Asymmetric Synthesis of Alkylidene 1-Alkylindan-1-ols Using Brønsted Acid and Palladium Catalysis.
• Authors of publication: Faggyas, Réka J; Calder, Ewen D. D.; Wilson, Claire; Sutherland, Andrew
• Journal of publication: The Journal of organic chemistry
• Year of publication: 2017
• Journal volume: 82
• Journal issue: 21
• Pages of publication: 11585 - 11593
• a: 11.1863 ± 0.0005 Å
• b: 11.1863 ± 0.0005 Å
• c: 6.106 ± 0.0003 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 661.7 ± 0.05 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 K
• Number of distinct elements: 3
• Space group number: 145
• Hermann-Mauguin space group symbol: P 32
• Hall space group symbol: P 32
• Residual factor for all reflections: 0.028
• Residual factor for significantly intense reflections: 0.0276
• Weighted residual factors for significantly intense reflections: 0.0698
• Weighted residual factors for all reflections included in the refinement: 0.07
• Goodness-of-fit parameter for all reflections included in the refinement: 1.031
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No