Information card for entry 1555950

Structure parameters

• Formula: C24 H34 O4
• Calculated formula: C24 H34 O4
• SMILES: O1[C@]23[C@@H]4CC[C@H]5C[C@@H](OC)CC[C@@]5([C@H]4CC[C@@]2([C@H]([C@H](O)[C@H]13)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: 12.0052 ± 0.0002 Å
• b: 7.5696 ± 0.0001 Å
• c: 12.6467 ± 0.0002 Å
• α: 90°
• β: 113.646 ± 0.001°
• γ: 90°
• Cell volume: 1052.77 ± 0.03 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: 0.0457
• Residual factor for significantly intense reflections: 0.0365
• Weighted residual factors for significantly intense reflections: 0.0879
• Weighted residual factors for all reflections included in the refinement: 0.0944
• Goodness-of-fit parameter for all reflections included in the refinement: 1.041
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No