Information card for entry 7153037

Structure parameters

• Formula: C21 H23 N O2
• Calculated formula: C21 H23 N O2
• Title of publication: Gorlos-phos: addressing the stereoselectivity in palladium-catalyzed exo-mode cyclization of allenes with a nucleophilic functionality.
• Authors of publication: Ye, Juntao; Li, Suhua; Ma, Shengming
• Journal of publication: Organic & biomolecular chemistry
• Year of publication: 2013
• Journal volume: 11
• Journal issue: 32
• Pages of publication: 5370 - 5373
• a: 13.9084 ± 0.0018 Å
• b: 5.9803 ± 0.0008 Å
• c: 22.981 ± 0.003 Å
• α: 90°
• β: 105.356 ± 0.004°
• γ: 90°
• Cell volume: 1843.2 ± 0.4 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.1043
• Residual factor for significantly intense reflections: 0.0685
• Weighted residual factors for significantly intense reflections: 0.205
• Weighted residual factors for all reflections included in the refinement: 0.2462
• Goodness-of-fit parameter for all reflections included in the refinement: 1.053
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No