Information card for entry 2004948

Structure parameters

• Common name: β-isopipitzol
• Chemical name: (1R,3R,6r,11R)-1,2,2,6,-tetramethyl-8-hydroxytriciclo[5.2.2.0^3,11^] undec-7-en-9,10-dione
• Formula: C15 H20 O3
• Calculated formula: C15 H20 O3
• Title of publication: β-Isopipitzol
• Authors of publication: Hernández-Ortega, S.; Yuste, F.; Ortiz, B.; Barrios, H.; Sánchez-Obregón, R.; Walls, F.
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1996
• Journal volume: 52
• Journal issue: 6
• Pages of publication: 1452 - 1454
• a: 6.752 ± 0.001 Å
• b: 12.44 ± 0.001 Å
• c: 16.251 ± 0.001 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1365 ± 0.2 ų
• Cell temperature: 293 K
• Ambient diffraction temperature: 293 K
• Number of distinct elements: 3
• 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: 0.0619
• Residual factor for significantly intense reflections: 0.057
• Weighted residual factors for all reflections: 0.0823
• Weighted residual factors for significantly intense reflections: 0.075
• Goodness-of-fit parameter for significantly intense reflections: 1.32
• Diffraction radiation wavelength: 1.5418 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No