Information card for entry 4028593

Structure parameters

• Formula: C48 H52 O10
• Calculated formula: C48 H52 O10
• SMILES: O=C1CC[C@]2([C@H](C1)CC[C@@H]1[C@@H]2C[C@@H](OC(=O)c2ccccc2)[C@]2(C1=C[C@@H]1O[C@]3(O[C@](C[C@H]3OC(=O)c3ccccc3)(COC(=O)c3ccccc3)C)[C@H]([C@]21O)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: 11.2106 ± 0.0003 Å
• b: 6.3133 ± 0.0002 Å
• c: 28.577 ± 0.001 Å
• α: 90°
• β: 96.8071 ± 0.0012°
• γ: 90°
• Cell volume: 2008.3 ± 0.11 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: 0.081
• Residual factor for significantly intense reflections: 0.057
• Weighted residual factors for significantly intense reflections: 0.093
• Weighted residual factors for all reflections included in the refinement: 0.103
• Goodness-of-fit parameter for all reflections included in the refinement: 1.104
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MO-Kα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No