Information card for entry 7103368

Structure parameters

• Formula: C34 H38 B N Si2
• Calculated formula: C34 H38 B N Si2
• SMILES: [Si](N(B1C(=C(C(=C1c1ccccc1)c1ccccc1)c1ccccc1)c1ccccc1)[Si](C)(C)C)(C)(C)C
• Title of publication: Direct functionalization at the boron center of antiaromatic chloroborole.
• Authors of publication: Braunschweig, Holger; Kupfer, Thomas
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2008
• Journal issue: 37
• Pages of publication: 4487 - 4489
• a: 12.5821 ± 0.0006 Å
• b: 11.455 ± 0.0006 Å
• c: 22.265 ± 0.0011 Å
• α: 90°
• β: 102.334 ± 0.002°
• γ: 90°
• Cell volume: 3134.9 ± 0.3 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• 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: 0.1162
• Residual factor for significantly intense reflections: 0.0542
• Weighted residual factors for significantly intense reflections: 0.0897
• Weighted residual factors for all reflections included in the refinement: 0.1064
• Goodness-of-fit parameter for all reflections included in the refinement: 1.015
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No