Information card for entry 4023396

Structure parameters

• Formula: C16 H21 N3 Si2
• Calculated formula: C16 H21 N3 Si2
• SMILES: c1(cc(c(c(c1C#N)N)C#N)[Si](C)(C)C)C#C[Si](C)(C)C
• Title of publication: An Efficient and Facile Synthesis of Highly Substituted 2,6-Dicyanoanilines
• Authors of publication: Chenyi Yi; Carmen Blum; Shi-Xia Liu; Gabriela Frei; Antonia Neels; Philippe Renaud; Samuel Leutwyler; Silvio Decurtins
• Journal of publication: Journal of Organic Chemistry
• Year of publication: 2008
• Journal volume: 73
• Pages of publication: 3596 - 3599
• a: 9.897 ± 0.0017 Å
• b: 10.0381 ± 0.0015 Å
• c: 11.0211 ± 0.0016 Å
• α: 69.685 ± 0.011°
• β: 63.344 ± 0.011°
• γ: 80.051 ± 0.013°
• Cell volume: 917.5 ± 0.2 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0585
• Residual factor for significantly intense reflections: 0.0372
• Weighted residual factors for significantly intense reflections: 0.0907
• Weighted residual factors for all reflections included in the refinement: 0.0958
• Goodness-of-fit parameter for all reflections included in the refinement: 0.989
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No