Information card for entry 1555545

Structure parameters

• Formula: C24 H25 N O4
• Calculated formula: C24 H25 N O4
• Title of publication: Rh-Catalyzed Stereospecific Synthesis of Allenes from Propargylic Benzoates and Arylboronic Acids.
• Authors of publication: Ruchti, Jonathan; Carreira, Erick M.
• Journal of publication: Organic letters
• Year of publication: 2016
• Journal volume: 18
• Journal issue: 9
• Pages of publication: 2174 - 2176
• a: 12.7971 ± 0.0003 Å
• b: 12.8656 ± 0.0003 Å
• c: 14.0933 ± 0.0003 Å
• α: 88.968 ± 0.001°
• β: 86.108 ± 0.001°
• γ: 66.582 ± 0.001°
• Cell volume: 2124.21 ± 0.09 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 K
• Number of distinct elements: 4
• Space group number: 1
• Hermann-Mauguin space group symbol: P 1
• Hall space group symbol: P 1
• Residual factor for all reflections: 0.0313
• Residual factor for significantly intense reflections: 0.0307
• Weighted residual factors for significantly intense reflections: 0.0827
• Weighted residual factors for all reflections included in the refinement: 0.0833
• Goodness-of-fit parameter for all reflections included in the refinement: 1.02
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No