Information card for entry 4025755

Structure parameters

• Formula: C26 H34 O6
• Calculated formula: C26 H34 O6
• Title of publication: Studies toward the Total Syntheses of Cucurbitacins B and D
• Authors of publication: Michael E. Jung; Rebecca M. Lui
• Journal of publication: Journal of Organic Chemistry
• Year of publication: 2010
• Journal volume: 75
• Pages of publication: 7146 - 7158
• a: 13.449 ± 0.002 Å
• b: 14.006 ± 0.003 Å
• c: 14.786 ± 0.005 Å
• α: 98.395 ± 0.003°
• β: 102.435 ± 0.003°
• γ: 117.966 ± 0.002°
• Cell volume: 2301.7 ± 1 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 3
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1577
• Residual factor for significantly intense reflections: 0.0827
• Weighted residual factors for significantly intense reflections: 0.1968
• Weighted residual factors for all reflections included in the refinement: 0.2342
• Goodness-of-fit parameter for all reflections included in the refinement: 1.129
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No