Information card for entry 4109669

Structure parameters

• Formula: C18 H28 B Cr N Si2
• Calculated formula: C18 H28 B Cr N Si2
• SMILES: [Cr]123456789%10%11[c]%12(B(N([Si](C)(C)C)[Si](C)(C)C)C%135[CH]6=[CH]7[CH]8=[CH]9[CH]%10=[CH]%11%13)[cH]1[cH]2[cH]3[cH]4%12
• Title of publication: Ansa [1]Trochrocenophanes and Their Related Unstrained 1,1'-Disubstituted Counterparts: Synthesis and Electronic Structure
• Authors of publication: Holger Braunschweig; Thomas Kupfer; Matthias Lutz; Krzysztof Radacki
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2007
• Journal volume: 129
• Pages of publication: 8893 - 8906
• a: 6.4925 ± 0.0003 Å
• b: 9.8498 ± 0.0004 Å
• c: 15.5959 ± 0.0007 Å
• α: 104.538 ± 0.002°
• β: 99.734 ± 0.002°
• γ: 93.165 ± 0.002°
• Cell volume: 946.52 ± 0.07 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.058
• Residual factor for significantly intense reflections: 0.0417
• Weighted residual factors for significantly intense reflections: 0.1018
• Weighted residual factors for all reflections included in the refinement: 0.1099
• Goodness-of-fit parameter for all reflections included in the refinement: 1.085
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No