Information card for entry 7044007

Structure parameters

• Formula: C28 H36 N2 Si
• Calculated formula: C28 H36 N2 Si
• SMILES: [SiH2](C1N(CCCN1c1c(cc(cc1C)C)C)c1c(cc(cc1C)C)C)c1ccccc1
• Title of publication: Ring Expansion of a Ring Expanded Carbene
• Authors of publication: Hill, Michael; Dutton, Jason Laurence; Wilson, David John; Mahon, Mary F.; Garcia, Lucia; Al Furaiji, Khalidah
• Journal of publication: Dalton Trans.
• Year of publication: 2017
• a: 15.8057 ± 0.0003 Å
• b: 7.6126 ± 0.0001 Å
• c: 20.7376 ± 0.0004 Å
• α: 90°
• β: 90.945 ± 0.002°
• γ: 90°
• Cell volume: 2494.86 ± 0.08 ų
• Cell temperature: 150 ± 0.1 K
• Ambient diffraction temperature: 150 ± 0.1 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0722
• Residual factor for significantly intense reflections: 0.047
• Weighted residual factors for significantly intense reflections: 0.1149
• Weighted residual factors for all reflections included in the refinement: 0.1261
• Goodness-of-fit parameter for all reflections included in the refinement: 1.041
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No