Information card for entry 4020113

Structure parameters

• Common name: (aS,S)-piperidinomethylpyrrolidine
• Formula: C29 H35 N2 O P
• Calculated formula: C29 N2 O P
• Title of publication: Amination of N-Aryl Prolinol via Ring Expansion and Contraction: Application to the Chiral Ligand for the Catalytic Asymmetric Reaction
• Authors of publication: Mino, Takashi; Saito, Akio; Tanaka, Youichi; Hasegawa, Shintaro; Sato, Yutaka; Sakamoto, Masami; Fujita, Tsutomu
• Journal of publication: Journal of Organic Chemistry
• Year of publication: 2005
• Journal volume: 70
• Journal issue: 5
• Pages of publication: 1937 - 1940
• a: 11.145 ± 0.003 Å
• b: 22.855 ± 0.007 Å
• c: 10.089 ± 0.004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2569.9 ± 1.4 ų
• Cell temperature: 298 K
• Number of distinct elements: 5
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.051
• Residual factor for significantly intense reflections: 0.048
• Weighted residual factors for all reflections: 0.261
• Weighted residual factors for significantly intense reflections: 0.261
• Weighted residual factors for all reflections included in the refinement: 0.261
• Goodness-of-fit parameter for all reflections: 0.753
• Goodness-of-fit parameter for significantly intense reflections: 0.596
• Goodness-of-fit parameter for all reflections included in the refinement: 0.596
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No