Information card for entry 4120167

Structure parameters

• Formula: C17 H16 O2
• Calculated formula: C17 H16 O2
• SMILES: O1C(=O)C[C@@H]([C@H](c2c1cccc2)C)c1ccccc1
• 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: 5.9141 ± 0.0003 Å
• b: 12.8128 ± 0.0006 Å
• c: 17.2988 ± 0.0008 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1310.84 ± 0.11 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 99.99 K
• Number of distinct elements: 3
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0237
• Residual factor for significantly intense reflections: 0.0218
• Weighted residual factors for significantly intense reflections: 0.0645
• Weighted residual factors for all reflections included in the refinement: 0.0781
• Goodness-of-fit parameter for all reflections included in the refinement: 1.233
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No