Information card for entry 4118478

Structure parameters

• Formula: C28 H28 O8
• Calculated formula: C28 H28 O8
• Title of publication: Enantioselective Photocycloaddition of 3-Hydroxyflavones: Total Syntheses and Absolute Configuration Assignments of (+)-Ponapensin and (+)-Elliptifoline
• Authors of publication: Neil J. Lajkiewicz; Stéphane P. Roche; Baudouin Gerard; John A. Porco
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2012
• Journal volume: 134
• Pages of publication: 13108 - 13113
• a: 6.3478 ± 0.0002 Å
• b: 12.4544 ± 0.0004 Å
• c: 30.1079 ± 0.001 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2380.27 ± 0.13 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 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: 0.0238
• Residual factor for significantly intense reflections: 0.0237
• Weighted residual factors for significantly intense reflections: 0.0613
• Weighted residual factors for all reflections included in the refinement: 0.0614
• Goodness-of-fit parameter for all reflections included in the refinement: 1.036
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No