Information card for entry 4076530

Structure parameters

• Formula: C19 H31 B Cl N4 O Si
• Calculated formula: C19 H31 B Cl N4 O Si
• Title of publication: 1,1-Bis(N-methylimidazole)-2-(trimethylsilyl)-1-boracyclohexa-1,4-diene Chloride: A Stable Intermediate or Tangent en Route to 1-(N-Methylimidazole)borabenzene?
• Authors of publication: Cade, Ian A.; Hill, Anthony F.
• Journal of publication: Organometallics
• Year of publication: 2012
• Journal volume: 31
• Journal issue: 5
• Pages of publication: 2112
• a: 12.7787 ± 0.0002 Å
• b: 10.0476 ± 0.0002 Å
• c: 18.6854 ± 0.0003 Å
• α: 90°
• β: 108.326 ± 0.0009°
• γ: 90°
• Cell volume: 2277.44 ± 0.07 ų
• Cell temperature: 200 K
• Ambient diffraction temperature: 200 K
• Number of distinct elements: 7
• Space group number: 13
• Hermann-Mauguin space group symbol: P 1 2/a 1
• Hall space group symbol: -P 2ya
• Residual factor for all reflections: 0.0641
• Residual factor for significantly intense reflections: 0.0316
• Weighted residual factors for all reflections: 0.1082
• Weighted residual factors for significantly intense reflections: 0.0757
• Weighted residual factors for all reflections included in the refinement: 0.1082
• Goodness-of-fit parameter for all reflections included in the refinement: 0.9786
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No