Information card for entry 4120169

Structure parameters

• Formula: C10 H10 O2
• Calculated formula: C10 H10 O2
• SMILES: O1c2c(cccc2)C[C@@H](C1=O)C
• Title of publication: A Dual Lewis Base Activation Strategy for Enantioselective Carbene-Catalyzed Annulations
• Authors of publication: Javier Izquierdo; Ane Orue; Karl A. Scheidt
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2013
• Journal volume: 135
• Pages of publication: 10634 - 10637
• a: 7.3733 ± 0.0003 Å
• b: 6.0822 ± 0.0003 Å
• c: 9.3401 ± 0.0004 Å
• α: 90°
• β: 100.71 ± 0.002°
• γ: 90°
• Cell volume: 411.57 ± 0.03 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 99.99 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: 0.0248
• Residual factor for significantly intense reflections: 0.0244
• Weighted residual factors for significantly intense reflections: 0.0638
• Weighted residual factors for all reflections included in the refinement: 0.067
• Goodness-of-fit parameter for all reflections included in the refinement: 1.099
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes