Information card for entry 7120477

Structure parameters

• Formula: C55 H81 N3 O Si
• Calculated formula: C55 H81 N3 O Si
• SMILES: [SiH]([O-])(Nc1c(cccc1C(C)C)C(C)C)c1c(c2c(C(C)C)cc(cc2C(C)C)C(C)C)cccc1c1c(C(C)C)cc(cc1C(C)C)C(C)C.n1(c[n+](c(c1C)C)C)C
• Title of publication: NHC-stabilized 1-hydrosilaimine: synthesis, structure and reactivity
• Authors of publication: Dhara, Debabrata; Vijayakanth, Thangavel; Barman, Milan Kr.; Naik, Khevath Praveen Kumar; Chrysochos, Nicolas; Yildiz, Cem B.; Boomishankar, Ramamoorthy; Schulzke, Carola; Chandrasekhar, Vadapalli; Jana, Anukul
• Journal of publication: Chem. Commun.
• Year of publication: 2017
• a: 14.73 ± 0.006 Å
• b: 17.458 ± 0.008 Å
• c: 24.128 ± 0.01 Å
• α: 90°
• β: 91.47 ± 0.009°
• γ: 90°
• Cell volume: 6203 ± 5 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/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.1841
• Residual factor for significantly intense reflections: 0.0731
• Weighted residual factors for significantly intense reflections: 0.1926
• Weighted residual factors for all reflections included in the refinement: 0.2444
• Goodness-of-fit parameter for all reflections included in the refinement: 1.017
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No