Information card for entry 1555951

Structure parameters

• Formula: C26 H38 O5
• Calculated formula: C26 H38 O5
• SMILES: O[C@@]12[C@@H]3CC[C@H]4C[C@@H](OC)CC[C@@]4([C@H]3CC[C@@]1([C@H]([C@@H](OC(=O)C)C2)c1cocc1)C)C
• Title of publication: Synthetic Approach to the Core Structure of Oleandrin and Related Cardiac Glycosides with Highly Functionalized Ring D.
• Authors of publication: Michalak, Karol; Morawiak, Maja; Wicha, Jerzy
• Journal of publication: Organic letters
• Year of publication: 2016
• Journal volume: 18
• Journal issue: 23
• Pages of publication: 6148 - 6151
• a: 6.1334 ± 0.0013 Å
• b: 25.169 ± 0.006 Å
• c: 7.7489 ± 0.0016 Å
• α: 90°
• β: 95.807 ± 0.012°
• γ: 90°
• Cell volume: 1190.1 ± 0.5 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 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: 0.0647
• Residual factor for significantly intense reflections: 0.0526
• Weighted residual factors for significantly intense reflections: 0.1516
• Weighted residual factors for all reflections included in the refinement: 0.1613
• Goodness-of-fit parameter for all reflections included in the refinement: 1.014
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No