Information card for entry 4078596

Structure parameters

• Formula: C27 H45 N3 Si
• Calculated formula: C27 H45 N3 Si
• SMILES: [Si]1([N](=C(N1C(C)(C)C)c1ccccc1)C(C)(C)C)N(C1CCCCC1)C1CCCCC1
• Title of publication: Facile Access to the Functionalized N-Donor Stabilized Silylenes PhC(NtBu)2SiX (X = PPh2, NPh2, NCy2, NiPr2, NMe2, N(SiMe3)2, OtBu)
• Authors of publication: Azhakar, Ramachandran; Ghadwal, Rajendra S.; Roesky, Herbert W.; Wolf, Hilke; Stalke, Dietmar
• Journal of publication: Organometallics
• Year of publication: 2012
• Journal volume: 31
• Journal issue: 12
• Pages of publication: 4588
• a: 15.04 ± 0.004 Å
• b: 11.542 ± 0.004 Å
• c: 16.516 ± 0.006 Å
• α: 90°
• β: 111.7 ± 0.02°
• γ: 90°
• Cell volume: 2663.9 ± 1.6 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 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: 0.0493
• Residual factor for significantly intense reflections: 0.0379
• Weighted residual factors for significantly intense reflections: 0.0876
• Weighted residual factors for all reflections included in the refinement: 0.0921
• Goodness-of-fit parameter for all reflections included in the refinement: 1.043
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No