Information card for entry 4038521

Structure parameters

• Formula: C17 H16 O6
• Calculated formula: C17 H16 O6
• Title of publication: Access to 4-Alkenylated Coumarins via Ruthenium-Catalyzed Olefinic C-H Alkenylation of Coumarins with Modifiable and Removable Directing Groups.
• Authors of publication: Wang, Yu-Jiao; Wang, Tong-Tong; Yao, Lan; Wang, Qian-Long; Zhao, Li-Ming
• Journal of publication: The Journal of organic chemistry
• Year of publication: 2020
• a: 13.718 ± 0.0018 Å
• b: 8.7102 ± 0.0009 Å
• c: 25.568 ± 0.003 Å
• α: 90°
• β: 95.537 ± 0.011°
• γ: 90°
• Cell volume: 3040.8 ± 0.6 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 3
• Space group number: 15
• Hermann-Mauguin space group symbol: I 1 2/a 1
• Hall space group symbol: -I 2ya
• Residual factor for all reflections: 0.1072
• Residual factor for significantly intense reflections: 0.0606
• Weighted residual factors for significantly intense reflections: 0.1252
• Weighted residual factors for all reflections included in the refinement: 0.1532
• Goodness-of-fit parameter for all reflections included in the refinement: 1.013
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No