Information card for entry 7133445

Structure parameters

• Formula: C31 H29 B F6 O2
• Calculated formula: C31 H29 B F6 O2
• Title of publication: Three-component cascade carbopalladation/Heck cyclization/borylation: facile access to boryl-functionalized indenes.
• Authors of publication: Sun, Fei; Zheng, Yiyi; Wu, Mingxia; Ji, Hongsen; Jiang, Zhongyao; Liu, Chenglin; Wu, Xin-Xing
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2024
• Journal volume: 60
• Journal issue: 62
• Pages of publication: 8075 - 8078
• a: 8.649 ± 0.007 Å
• b: 13.234 ± 0.007 Å
• c: 13.312 ± 0.008 Å
• α: 107.837 ± 0.01°
• β: 95.839 ± 0.01°
• γ: 96.84 ± 0.007°
• Cell volume: 1424.7 ± 1.6 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.157
• Residual factor for significantly intense reflections: 0.1046
• Weighted residual factors for significantly intense reflections: 0.2353
• Weighted residual factors for all reflections included in the refinement: 0.2669
• Goodness-of-fit parameter for all reflections included in the refinement: 1.001
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No