Information card for entry 4103596

Structure parameters

• Formula: C20 H20 O2
• Calculated formula: C20 H20 O2
• SMILES: C1C(=C(C=C1c1cc2ccccc2cc1)CCC)C(=O)OC
• Title of publication: Highly Enantioselective Rh2(S-DOSP)4- Catalyzed Cyclopropenation of Alkynes with Styryldiazoacetates
• Authors of publication: John F. Briones; Jørn Hansen; Kenneth I. Hardcastle; Jochen Autschbach; Huw M. L. Davies
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2010
• Journal volume: 132
• Pages of publication: 17211 - 17215
• a: 8.4047 ± 0.0004 Å
• b: 5.5397 ± 0.0003 Å
• c: 17.0558 ± 0.0007 Å
• α: 90°
• β: 91.048 ± 0.003°
• γ: 90°
• Cell volume: 793.98 ± 0.07 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 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: 0.043
• Residual factor for significantly intense reflections: 0.0338
• Weighted residual factors for significantly intense reflections: 0.091
• Weighted residual factors for all reflections included in the refinement: 0.1016
• Goodness-of-fit parameter for all reflections included in the refinement: 1.027
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No