Information card for entry 1574659

Structure parameters

• Formula: C15 H20 O3
• Calculated formula: C15 H20 O3
• 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: 7.2282 ± 0.0008 Å
• b: 14.1294 ± 0.0013 Å
• c: 13.1197 ± 0.0016 Å
• α: 90°
• β: 90.972 ± 0.009°
• γ: 90°
• Cell volume: 1339.7 ± 0.3 ų
• Cell temperature: 150 K
• Ambient diffraction temperature: 150 K
• Number of distinct elements: 3
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.1498
• Residual factor for significantly intense reflections: 0.1276
• Weighted residual factors for significantly intense reflections: 0.3007
• Weighted residual factors for all reflections included in the refinement: 0.318
• Goodness-of-fit parameter for all reflections included in the refinement: 1.169
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No