Information card for entry 4109025

Structure parameters

• Formula: C20 H22 O3
• Calculated formula: C20 H22 O3
• SMILES: c12ccccc1ccc1c2CC[C@](C1=O)(C)[C@H](C)CC(=O)OC.c12ccccc1ccc1c2CC[C@@](C1=O)(C)[C@@H](C)CC(=O)OC
• Title of publication: Asymmetric Conjugate Addition of Silyl Enol Ethers Catalyzed by Tethered Bis(8-quinolinolato) Aluminum Complexes
• Authors of publication: Norito Takenaka; Joshua P. Abell; Hisashi Yamamoto
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2007
• Journal volume: 129
• Pages of publication: 742 - 743
• a: 7.273 ± 0.015 Å
• b: 10.13 ± 0.02 Å
• c: 11.76 ± 0.02 Å
• α: 82.93 ± 0.04°
• β: 82.72 ± 0.04°
• γ: 71.26 ± 0.03°
• Cell volume: 811 ± 3 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 3
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0738
• Residual factor for significantly intense reflections: 0.0598
• Weighted residual factors for significantly intense reflections: 0.1447
• Weighted residual factors for all reflections included in the refinement: 0.1542
• Goodness-of-fit parameter for all reflections included in the refinement: 0.997
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No