Information card for entry 7244969

Structure parameters

• Formula: C18 H18 O2
• Calculated formula: C18 H18 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: 8.858 ± 0.0002 Å
• b: 9.5201 ± 0.0002 Å
• c: 9.7104 ± 0.0002 Å
• α: 101.608 ± 0.002°
• β: 109.911 ± 0.002°
• γ: 92.242 ± 0.002°
• Cell volume: 749 ± 0.03 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 K
• Number of distinct elements: 3
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0556
• Residual factor for significantly intense reflections: 0.0443
• Weighted residual factors for significantly intense reflections: 0.1139
• Weighted residual factors for all reflections included in the refinement: 0.1197
• Goodness-of-fit parameter for all reflections included in the refinement: 1.0649
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.3405 Å
• Diffraction radiation type: synchrotron
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No