Information card for entry 1574660

Structure parameters

• Formula: C15 H18 O2
• Calculated formula: C15 H18 O2
• 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: 17.7579 ± 0.0018 Å
• b: 19.141 ± 0.003 Å
• c: 7.3717 ± 0.0008 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2505.7 ± 0.5 ų
• Cell temperature: 150 K
• Ambient diffraction temperature: 150 K
• Number of distinct elements: 3
• Space group number: 18
• Hermann-Mauguin space group symbol: P 21 21 2
• Hall space group symbol: P 2 2ab
• Residual factor for all reflections: 0.1761
• Residual factor for significantly intense reflections: 0.081
• Weighted residual factors for significantly intense reflections: 0.1864
• Weighted residual factors for all reflections included in the refinement: 0.2285
• Goodness-of-fit parameter for all reflections included in the refinement: 0.9
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No