Information card for entry 1544956

Structure parameters

• Formula: C35 H44 O11
• Calculated formula: C35 H44 O11
• SMILES: [C@]12([C@@]3([C@H]([C@]([C@H](CC(=O)OC)[C@]1([C@@H]1C(=C4[C@@](CC1)([C@H](c1cocc1)OC(=O)C4)C)C3=O)C)(C)C2)OC(=O)C(C)C)O)OC(=O)C(C)C
• Title of publication: Krishnadimer A, an Axially Chiral Non-biaryl Natural Product: Discovery and Biomimetic Synthesis.
• Authors of publication: Li, Wan Shan; Wu, Jun; Li, Jun; Satyanandamurty, Tirumani; Shen, Li; Bringmann, Gerhard
• Journal of publication: Organic letters
• Year of publication: 2016
• a: 9.2287 ± 0.0001 Å
• b: 12.5822 ± 0.0002 Å
• c: 28.2476 ± 0.0003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3280.04 ± 0.07 ų
• Cell temperature: 150 ± 0.1 K
• Ambient diffraction temperature: 150 ± 0.1 K
• Number of distinct elements: 3
• 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: 0.0289
• Residual factor for significantly intense reflections: 0.0284
• Weighted residual factors for significantly intense reflections: 0.0719
• Weighted residual factors for all reflections included in the refinement: 0.0724
• Goodness-of-fit parameter for all reflections included in the refinement: 1.031
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No