Information card for entry 4118476

Structure parameters

• Formula: C44 H47 N O8
• Calculated formula: C44 H47 N O8
• SMILES: O1[C@]2([C@@H]([C@H]([C@@](O)(c3c1cc(OC)cc3OC)[C@@H]2O)C(=O)N1[C@@H](OC)CCC1)c1ccccc1)c1ccc(OC)cc1.c1ccccc1.c1ccccc1.O1[C@@]2([C@H]([C@@H]([C@](O)(c3c1cc(OC)cc3OC)[C@H]2O)C(=O)N1[C@H](OC)CCC1)c1ccccc1)c1ccc(OC)cc1.c1ccccc1.c1ccccc1
• 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: 11.6354 ± 0.0009 Å
• b: 12.6447 ± 0.001 Å
• c: 15.6781 ± 0.0011 Å
• α: 71.62 ± 0.004°
• β: 69.603 ± 0.004°
• γ: 63.746 ± 0.004°
• Cell volume: 1903 ± 0.3 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.064
• Residual factor for significantly intense reflections: 0.0435
• Weighted residual factors for significantly intense reflections: 0.1015
• Weighted residual factors for all reflections included in the refinement: 0.1135
• Goodness-of-fit parameter for all reflections included in the refinement: 1.017
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No