Information card for entry 1574549

Structure parameters

• Formula: C13 H14 O3
• Calculated formula: C13 H14 O3
• Title of publication: Synthesis of bicyclo[3.2.0]heptane lactones via a ligand-enabled Pd-catalyzed C(sp3)–H activation cascade
• Authors of publication: Fan, Zhoulong; Cai, Xinpei; Sheng, Tao; Yu, Jin-Quan
• Journal of publication: Chemical Science
• Year of publication: 2025
• Journal volume: 16
• Journal issue: 21
• Pages of publication: 9436 - 9440
• a: 6.5249 ± 0.0006 Å
• b: 7.7533 ± 0.0009 Å
• c: 11.3333 ± 0.001 Å
• α: 90°
• β: 103.142 ± 0.003°
• γ: 90°
• Cell volume: 558.33 ± 0.1 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 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: 0.0591
• Residual factor for significantly intense reflections: 0.0503
• Weighted residual factors for significantly intense reflections: 0.1321
• Weighted residual factors for all reflections included in the refinement: 0.1387
• Goodness-of-fit parameter for all reflections included in the refinement: 1.049
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Diffraction radiation X-ray symbol: K-L~3~
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No