Information card for entry 1574662

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: 9.7955 ± 0.001 Å
• b: 10.5156 ± 0.0016 Å
• c: 12.1712 ± 0.0012 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1253.7 ± 0.3 ų
• Cell temperature: 150 K
• Ambient diffraction temperature: 150 K
• Number of distinct elements: 3
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0494
• Residual factor for significantly intense reflections: 0.0376
• Weighted residual factors for significantly intense reflections: 0.083
• Weighted residual factors for all reflections included in the refinement: 0.0855
• Goodness-of-fit parameter for all reflections included in the refinement: 0.972
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No