Information card for entry 7156531

Structure parameters

• Formula: C19 H28 O3
• Calculated formula: C19 H28 O3
• Title of publication: Total synthesis of (±)-chondrosterin I using a desymmetric aldol reaction.
• Authors of publication: Kawamoto, Yuichiro; Ozone, Daiki; Kobayashi, Toyoharu; Ito, Hisanaka
• Journal of publication: Organic & biomolecular chemistry
• Year of publication: 2018
• Journal volume: 16
• Journal issue: 44
• Pages of publication: 8477 - 8480
• a: 10.4021 ± 0.0013 Å
• b: 11.1622 ± 0.0014 Å
• c: 18.137 ± 0.002 Å
• α: 73.826 ± 0.002°
• β: 89.528 ± 0.002°
• γ: 62.611 ± 0.001°
• Cell volume: 1778 ± 0.4 ų
• Cell temperature: 90 K
• Ambient diffraction temperature: 90 K
• Number of distinct elements: 3
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0571
• Residual factor for significantly intense reflections: 0.045
• Weighted residual factors for significantly intense reflections: 0.1046
• Weighted residual factors for all reflections included in the refinement: 0.1169
• Goodness-of-fit parameter for all reflections included in the refinement: 1.068
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No