Information card for entry 4020116

Structure parameters

• Common name: (sR,S)pyperidinopyrrolidine
• 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: 15.407 ± 0.005 Å
• b: 6.635 ± 0.003 Å
• c: 13.278 ± 0.005 Å
• α: 90°
• β: 99.97 ± 0.03°
• γ: 90°
• Cell volume: 1337 ± 0.9 ų
• Number of distinct elements: 5
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.06
• Residual factor for significantly intense reflections: 0.052
• Weighted residual factors for all reflections: 0.186
• Weighted residual factors for significantly intense reflections: 0.186
• Weighted residual factors for all reflections included in the refinement: 0.186
• Goodness-of-fit parameter for all reflections: 0.782
• Goodness-of-fit parameter for significantly intense reflections: 0.552
• Goodness-of-fit parameter for all reflections included in the refinement: 0.552
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No