Information card for entry 7124437

Structure parameters

• Formula: C24 H14 O3
• Calculated formula: C24 H14 O3
• Title of publication: Palladium-catalysed enol/enolate directed oxidative annulation: functionalized naphthofuroquinones synthesis and bioactivity evaluation
• Authors of publication: Wang, Lei; Lv, Shuaipeng; Liu, Haitao; Kang, Jie; Luo, Yun; Gong, Ting; Dong, Zhengqi; Sun, Guibo; He, Chun-nian; Sun, Xiaobo
• Journal of publication: Chemical Communications
• Year of publication: 2019
• a: 13.2754 ± 0.0016 Å
• b: 13.4235 ± 0.0013 Å
• c: 9.5478 ± 0.0009 Å
• α: 90°
• β: 93.807 ± 0.01°
• γ: 90°
• Cell volume: 1697.7 ± 0.3 ų
• Cell temperature: 108 ± 0.14 K
• Ambient diffraction temperature: 108 ± 0.14 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: 0.0846
• Residual factor for significantly intense reflections: 0.053
• Weighted residual factors for significantly intense reflections: 0.0943
• Weighted residual factors for all reflections included in the refinement: 0.1104
• Goodness-of-fit parameter for all reflections included in the refinement: 1.053
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No