Information card for entry 7213024

Structure parameters

• Formula: C25 H27 N O6
• Calculated formula: C25 H27 N O6
• Title of publication: Stereoselective synthesis of (3R*,3aS*,7aS*)-3-aryloctahydroindol-2-ones using radical cyclisation: a formal synthesis of (±)-pancracine
• Authors of publication: Ikeda, Masazumi; Hamada, Masahiro; Yamashita, Takashi; Matsui, Katsuaki; Sato, Tatsunori; Ishibashi, Hiroyuki
• Journal of publication: Journal of the Chemical Society, Perkin Transactions 1
• Year of publication: 1999
• Journal issue: 14
• Pages of publication: 1949
• a: 12.749 ± 0.002 Å
• b: 16.163 ± 0.002 Å
• c: 10.624 ± 0.002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2189.2 ± 0.6 ų
• Cell temperature: 296.2 K
• Ambient diffraction temperature: 296.2 K
• Number of distinct elements: 4
• Space group number: 33
• Hermann-Mauguin space group symbol: P n a 21
• Hall space group symbol: P 2c -2n
• Residual factor for all reflections: 0.0369
• Residual factor for significantly intense reflections: 0.0369
• Weighted residual factors for significantly intense reflections: 0.0584
• Weighted residual factors for all reflections included in the refinement: 0.0584
• Goodness-of-fit parameter for all reflections included in the refinement: 1.385
• Diffraction radiation wavelength: 1.5418 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No