Information card for entry 1511928

Structure parameters

• Formula: C41 H46 N2 O15
• Calculated formula: C41 H46 N2 O15
• Title of publication: Establishment of Benzodioxazine Core Structure for Sarcodonin Class of Natural Products by X-ray Analysis
• Authors of publication: Masubuti, Hironori; Endo, Yasuhisa; Araya, Hiroshi; Uekusa, Hidehiro; Fujimoto, Yoshinori
• Journal of publication: Organic Letters
• Year of publication: 2013
• Journal volume: 15
• Journal issue: 9
• Pages of publication: 2076
• a: 10.5602 ± 0.0005 Å
• b: 10.4546 ± 0.0004 Å
• c: 37.7085 ± 0.0015 Å
• α: 90°
• β: 95.612 ± 0.002°
• γ: 90°
• Cell volume: 4143.2 ± 0.3 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Ambient diffracton pressure: 101.3 kPa
• Number of distinct elements: 4
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.1734
• Residual factor for significantly intense reflections: 0.0765
• Weighted residual factors for significantly intense reflections: 0.166
• Weighted residual factors for all reflections included in the refinement: 0.2199
• Goodness-of-fit parameter for all reflections included in the refinement: 0.975
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54186 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No