Information card for entry 4063575

Structure parameters

• Formula: C16 H22 B2 Cl O Y
• Calculated formula: C16 H22 B2 Cl O Y
• SMILES: [Y]123456789%10(Cl)[O](CCCB%11[CH]1=[CH]2C3[CH]4=[CH]5%11)CCCB1[CH]6=[CH]7C8[CH]9=[CH]%101
• Title of publication: Rapid Entry to Functionalized Boratabenzene Complexes through Metal-Induced Hydroboration at the Anionic 1-H-Boratabenzene Ligand
• Authors of publication: Yuan, Yuanyuan; Wang, Xiufang; Li, Yuxue; Fan, Liyan; Xu, Xin; Chen, Yaofeng; Li, Guangyu; Xia, Wei
• Journal of publication: Organometallics
• Year of publication: 2011
• Journal volume: 30
• Journal issue: 16
• Pages of publication: 4330
• a: 20.557 ± 0.003 Å
• b: 23.076 ± 0.003 Å
• c: 14.575 ± 0.002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 6914 ± 1.7 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 43
• Hermann-Mauguin space group symbol: F d d 2
• Hall space group symbol: F 2 -2d
• Residual factor for all reflections: 0.0718
• Residual factor for significantly intense reflections: 0.0529
• Weighted residual factors for significantly intense reflections: 0.1122
• Weighted residual factors for all reflections included in the refinement: 0.117
• Goodness-of-fit parameter for all reflections included in the refinement: 1.009
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No