Information card for entry 4116817

Structure parameters

• Formula: C28 H46 N2 O2
• Calculated formula: C28 H46 N2 O2
• Title of publication: Biomimetic Synthesis of (-)-Xestospongin A, (+)-Xestospongin C, (+)-Araguspongine B and the Correction of Their Absolute Configurations
• Authors of publication: Jack E. Baldwin; Artem Melman; Victor Lee; Catherine R. Firkin; Roger C. Whitehead
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 1998
• Journal volume: 120
• Pages of publication: 8559 - 8560
• a: 8.62 ± 0.01 Å
• b: 9.88 ± 0.01 Å
• c: 15.31 ± 0.01 Å
• α: 90°
• β: 96.33 ± 0.01°
• γ: 90°
• Cell volume: 1296 ± 2 ų
• Cell temperature: 293 K
• Ambient diffraction temperature: 293 K
• 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 significantly intense reflections: 0.0311
• Weighted residual factors for significantly intense reflections: 0.0393
• Goodness-of-fit parameter for significantly intense reflections: 1.0308
• Diffraction radiation wavelength: 1.5418 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No