Information card for entry 4126662

Structure parameters

• Formula: C10 H16 O4
• Calculated formula: C10 H16 O4
• SMILES: O1C(O[C@@H]2[C@H]1[C@H](O)C(=C[C@@H]2O)C)(C)C
• Title of publication: Total Synthesis of Resiniferatoxin Enabled by Radical-Mediated Three-Component Coupling and 7-endo Cyclization.
• Authors of publication: Hashimoto, Satoshi; Katoh, Shun-Ichiro; Kato, Takehiro; Urabe, Daisuke; Inoue, Masayuki
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2017
• a: 12.007 ± 0.003 Å
• b: 12.007 ± 0.003 Å
• c: 6.4662 ± 0.0017 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 807.3 ± 0.4 ų
• Cell temperature: 93 K
• Ambient diffraction temperature: 93 K
• Number of distinct elements: 3
• Space group number: 144
• Hermann-Mauguin space group symbol: P 31
• Hall space group symbol: P 31
• Residual factor for significantly intense reflections: 0.03
• Weighted residual factors for all reflections included in the refinement: 0.0881
• Goodness-of-fit parameter for all reflections included in the refinement: 1.004
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No