Information card for entry 4133639

Structure parameters

• Formula: C21 H28 N4 O Si
• Calculated formula: C21 H28 N4 O Si
• SMILES: [Si](c1nc2N(c3nccc(c3NC(=O)c2cc1)C)C1CC1)(CC)(CC)CC
• Title of publication: A Mild and Direct Site-Selective sp² C-H Silylation of (Poly)Azines.
• Authors of publication: Gu, Yiting; Shen, Yangyang; Zarate, Cayetana; Martin, Ruben
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2019
• Journal volume: 141
• Journal issue: 1
• Pages of publication: 127 - 132
• a: 10.3674 ± 0.0015 Å
• b: 10.4431 ± 0.0015 Å
• c: 10.6187 ± 0.0015 Å
• α: 85.78 ± 0.004°
• β: 85.901 ± 0.004°
• γ: 63.71 ± 0.004°
• Cell volume: 1027 ± 0.3 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.066
• Residual factor for significantly intense reflections: 0.0447
• Weighted residual factors for significantly intense reflections: 0.104
• Weighted residual factors for all reflections included in the refinement: 0.114
• Goodness-of-fit parameter for all reflections included in the refinement: 1.03
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No