Information card for entry 7247199

Structure parameters

• Formula: C19 H22 O4
• Calculated formula: C19 H22 O4
• Title of publication: CO2-facilitated radical sequential (3 + 2) annulation of 1,6-enynes via cooperation of sulfinate catalysis and photocatalysis
• Authors of publication: Gao, Yuzhen; Liu, Siqing; Su, Weiping
• Journal of publication: Green Chemistry
• Year of publication: 2023
• Journal volume: 25
• Journal issue: 18
• Pages of publication: 7335 - 7343
• a: 23.0076 ± 0.0002 Å
• b: 7.7676 ± 0.0001 Å
• c: 18.0741 ± 0.0002 Å
• α: 90°
• β: 99.883 ± 0.001°
• γ: 90°
• Cell volume: 3182.16 ± 0.06 ų
• Cell temperature: 153 ± 2 K
• Ambient diffraction temperature: 153 ± 2 K
• Number of distinct elements: 3
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0446
• Residual factor for significantly intense reflections: 0.0421
• Weighted residual factors for significantly intense reflections: 0.1104
• Weighted residual factors for all reflections included in the refinement: 0.1145
• Goodness-of-fit parameter for all reflections included in the refinement: 1.104
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No