Information card for entry 4130781

Structure parameters

• Common name: RR12-264-minor
• Formula: C19 H25 I O5
• Calculated formula: C19 H25 I O5
• SMILES: I[C@@H]1[C@@H](O)[C@@]23[C@@H](O[C@@]4([C@]52C(=O)[C@@H](C)[C@H](C4)CC5)C(=O)OC3)C(C)(C1)C.I[C@H]1[C@H](O)[C@]23[C@H](O[C@]4([C@@]52C(=O)[C@H](C)[C@@H](C4)CC5)C(=O)OC3)C(C)(C1)C
• Title of publication: 11-Step Total Synthesis of (-)-Maoecrystal V.
• Authors of publication: Cernijenko, Artiom; Risgaard, Rune; Baran, Phil S.
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2016
• Journal volume: 138
• Journal issue: 30
• Pages of publication: 9425 - 9428
• a: 9.8414 ± 0.001 Å
• b: 24.468 ± 0.003 Å
• c: 7.9373 ± 0.0009 Å
• α: 90°
• β: 108.333 ± 0.004°
• γ: 90°
• Cell volume: 1814.3 ± 0.4 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0444
• Residual factor for significantly intense reflections: 0.0328
• Weighted residual factors for significantly intense reflections: 0.0678
• Weighted residual factors for all reflections included in the refinement: 0.0719
• Goodness-of-fit parameter for all reflections included in the refinement: 1.038
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No