Information card for entry 4109429

Structure parameters

• Formula: C41 H50 N2 O10
• Calculated formula: C41 H50 N2 O10
• SMILES: O1C(CC[C@@]21O[C@@H]1[C@H]([C@@H]2C)[C@]2([C@H](OC(=O)c3ccc(N(=O)=O)cc3)C[C@@H]3[C@]4(CC[C@H](OC(=O)c5ccc(N(=O)=O)cc5)C[C@@H]4CC[C@H]3[C@H]2C1)C)C)(C)C
• Title of publication: Syntheses of the Eastern Halves of Ritterazines B, F, G, and H, Leading to Reassignment of the 5,5-Spiroketal Stereochemistry of Ritterazines B and F
• Authors of publication: Scott T. Phillips; Matthew D. Shair
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2007
• Journal volume: 129
• Pages of publication: 6589 - 6598
• a: 6.6933 ± 0.0013 Å
• b: 21.217 ± 0.004 Å
• c: 26.837 ± 0.005 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3811.2 ± 1.3 ų
• Cell temperature: 193 ± 2 K
• Ambient diffraction temperature: 193 ± 2 K
• Number of distinct elements: 4
• 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: 0.1969
• Residual factor for significantly intense reflections: 0.0398
• Weighted residual factors for significantly intense reflections: 0.0591
• Weighted residual factors for all reflections included in the refinement: 0.0776
• Goodness-of-fit parameter for all reflections included in the refinement: 0.646
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No