Information card for entry 7244970

Structure parameters

• Formula: C28 H32 O2
• Calculated formula: C28 H32 O2
• Title of publication: Visible-light-driven regioselective carbocarboxylation of 1,3-dienes with organic halides and CO2
• Authors of publication: Zhou, Chunlin; Wang, Xinchao; Yang, Lei; Fu, Lei; Li, Gang
• Journal of publication: Green Chemistry
• Year of publication: 2022
• Journal volume: 24
• Journal issue: 16
• Pages of publication: 6100 - 6107
• a: 9.5909 ± 0.0004 Å
• b: 23.7105 ± 0.0009 Å
• c: 10.2921 ± 0.0004 Å
• α: 90°
• β: 106.352 ± 0.004°
• γ: 90°
• Cell volume: 2245.8 ± 0.16 ų
• Cell temperature: 293 K
• Ambient diffraction temperature: 293 K
• Number of distinct elements: 3
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0572
• Residual factor for significantly intense reflections: 0.0451
• Weighted residual factors for significantly intense reflections: 0.1212
• Weighted residual factors for all reflections included in the refinement: 0.1295
• Goodness-of-fit parameter for all reflections included in the refinement: 1.106
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.3405 Å
• Diffraction radiation type: GaKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No