Information card for entry 4026512

Structure parameters

• Formula: C17 H21 N O2
• Calculated formula: C17 H21 N O2
• Title of publication: Palladium-Catalyzed Alkynylation of Secondary α-Bromo Carbonyl Compounds via Stille Coupling
• Authors of publication: Jun Yong Kang; Brian T. Connell
• Journal of publication: Journal of Organic Chemistry
• Year of publication: 2011
• Journal volume: 76
• Pages of publication: 6856 - 6859
• a: 5.324 ± 0.008 Å
• b: 10.365 ± 0.015 Å
• c: 14.32 ± 0.02 Å
• α: 89.195 ± 0.019°
• β: 84.673 ± 0.018°
• γ: 76.599 ± 0.017°
• Cell volume: 765.4 ± 1.9 ų
• Cell temperature: 110 ± 2 K
• Ambient diffraction temperature: 110 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.052
• Residual factor for significantly intense reflections: 0.0422
• Weighted residual factors for significantly intense reflections: 0.1122
• Weighted residual factors for all reflections included in the refinement: 0.1182
• Goodness-of-fit parameter for all reflections included in the refinement: 1.052
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No