Information card for entry 4028592

Structure parameters

• Formula: C41 H46 O8
• Calculated formula: C41 H46 O8
• SMILES: O=C1CC[C@]2([C@H](C1)CC[C@@H]1[C@@H]2C[C@@H](OC(=O)c2ccccc2)[C@]2([C@@]31OO[C@@]2(C=C3)[C@H](C)C(=O)[C@H](OC(=O)c1ccccc1)CC(=C)C)C)C
• Title of publication: A Convergent Total Synthesis of the Potent Cephalostatin/Ritterazine Hybrid -25-epiRitterostatin GN1N
• Authors of publication: Ananda Kumar Kanduluru; Prabal Banerjee; John A Beutler; Philip L Fuchs
• Journal of publication: Journal of Organic Chemistry
• Year of publication: 2013
• Journal volume: 78
• Pages of publication: 9085 - 9092
• a: 5.9908 ± 0.0001 Å
• b: 21.9862 ± 0.0006 Å
• c: 13.158 ± 0.0004 Å
• α: 90°
• β: 94.8749 ± 0.001°
• γ: 90°
• Cell volume: 1726.84 ± 0.08 ų
• Cell temperature: 150 K
• Ambient diffraction temperature: 150 K
• Number of distinct elements: 3
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.065
• Residual factor for significantly intense reflections: 0.049
• Weighted residual factors for significantly intense reflections: 0.086
• Weighted residual factors for all reflections included in the refinement: 0.094
• Goodness-of-fit parameter for all reflections included in the refinement: 1.061
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MO-Kα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No