Information card for entry 4025497

Structure parameters

• Formula: C20 H20 Br O3
• Calculated formula: C20 H20 Br O3
• Title of publication: Synthetic Studies on Schisandra nortriterpenoids. Stereocontrolled Synthesis of Enantiopure C-5-epiABC Ring Systems of Micrandilactone A and Lancifodilactone G Using RCM
• Authors of publication: Soumitra Maity; Kiran Matcha; Subrata Ghosh
• Journal of publication: Journal of Organic Chemistry
• Year of publication: 2010
• Journal volume: 75
• Pages of publication: 4192 - 4200
• a: 18.25 ± 0.003 Å
• b: 5.7487 ± 0.001 Å
• c: 18.732 ± 0.003 Å
• α: 90°
• β: 106.099 ± 0.004°
• γ: 90°
• Cell volume: 1888.2 ± 0.5 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 4
• Space group number: 5
• Hermann-Mauguin space group symbol: C 1 2 1
• Hall space group symbol: C 2y
• Residual factor for all reflections: 0.0909
• Residual factor for significantly intense reflections: 0.0601
• Weighted residual factors for significantly intense reflections: 0.1566
• Weighted residual factors for all reflections included in the refinement: 0.1691
• Goodness-of-fit parameter for all reflections included in the refinement: 1.027
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No