Information card for entry 7133444

Structure parameters

• Formula: C30 H33 B O2
• Calculated formula: C30 H33 B 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: 9.248 ± 0.003 Å
• b: 12.097 ± 0.004 Å
• c: 22.961 ± 0.008 Å
• α: 90°
• β: 100.211 ± 0.006°
• γ: 90°
• Cell volume: 2528 ± 1.5 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0879
• Residual factor for significantly intense reflections: 0.0752
• Weighted residual factors for significantly intense reflections: 0.252
• Weighted residual factors for all reflections included in the refinement: 0.2784
• Goodness-of-fit parameter for all reflections included in the refinement: 1.049
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No