Information card for entry 1574664

Structure parameters

• Formula: C21 H34 O2 Si
• Calculated formula: C21 H34 O2 Si
• Title of publication: Bio-inspired total synthesis of daphnepapytone A
• Authors of publication: Pereira, Joan; Casaretto, Nicolas; Frison, Gilles; Nay, Bastien
• Journal of publication: Chemical Science
• Year of publication: 2025
• Journal volume: 16
• Journal issue: 25
• Pages of publication: 11375 - 11380
• a: 7.43 ± 0.0006 Å
• b: 10.0076 ± 0.0008 Å
• c: 14.9814 ± 0.0012 Å
• α: 96.641 ± 0.006°
• β: 101.339 ± 0.006°
• γ: 99.843 ± 0.007°
• Cell volume: 1063.22 ± 0.15 ų
• Cell temperature: 150 K
• Ambient diffraction temperature: 150 K
• Number of distinct elements: 4
• Space group number: 1
• Hermann-Mauguin space group symbol: P 1
• Hall space group symbol: P 1
• Residual factor for all reflections: 0.096
• Residual factor for significantly intense reflections: 0.0713
• Weighted residual factors for significantly intense reflections: 0.1761
• Weighted residual factors for all reflections included in the refinement: 0.1893
• Goodness-of-fit parameter for all reflections included in the refinement: 0.961
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No