Information card for entry 4514818

Structure parameters

• Formula: C19 H20 O
• Calculated formula: C19 H20 O
• SMILES: O=C(C)CC[C@]1([C@H](c2ccccc2)C1)c1ccccc1
• Title of publication: Enantioselective Assembly of Congested Cyclopropanes using Redox-Active Aryldiazoacetates
• Authors of publication: Yu, Zhunzhun; Mendoza, Abraham
• Journal of publication: ACS Catalysis
• Year of publication: 2019
• Journal volume: 9
• Journal issue: 9
• Pages of publication: 7870
• a: 8.803 ± 0.002 Å
• b: 5.4591 ± 0.0011 Å
• c: 15.567 ± 0.005 Å
• α: 90°
• β: 104.94 ± 0.02°
• γ: 90°
• Cell volume: 722.8 ± 0.3 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 1 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: 0.0562
• Residual factor for significantly intense reflections: 0.0506
• Weighted residual factors for significantly intense reflections: 0.1385
• Weighted residual factors for all reflections included in the refinement: 0.1466
• Goodness-of-fit parameter for all reflections included in the refinement: 1.182
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No