Information card for entry 7213448

Structure parameters

• Formula: C36 H66 N2 Si3
• Calculated formula: C36 H66 N2 Si3
• SMILES: [Si]1([Si]([C@@H]2[C@H]1C=CN1[Si](N3C(=C21)C[C@@H]1[C@H]3CCC1)(C(C)(C)C)C(C)(C)C)(C(C)(C)C)C(C)(C)C)(C(C)(C)C)C(C)(C)C
• Title of publication: Utilization of industrial waste materials. Part 20. Stereoselective cycloaddition of silylenes and a disilene to an enantiomerically pure cyclic ketimine derived from an industrial waste material
• Authors of publication: von Keyserlingk, Nikolai Graf; Martens, Jürgen; Ostendorf, Detlev; Saak, Wolfgang; Weidenbruch, Manfred
• Journal of publication: Journal of the Chemical Society, Perkin Transactions 1
• Year of publication: 2001
• Journal issue: 7
• Pages of publication: 706
• a: 26.2381 ± 0.0015 Å
• b: 9.292 ± 0.0003 Å
• c: 16.1808 ± 0.001 Å
• α: 90°
• β: 105.905 ± 0.007°
• γ: 90°
• Cell volume: 3793.9 ± 0.4 ų
• Cell temperature: 193 ± 2 K
• Ambient diffraction temperature: 193 ± 2 K
• Number of distinct elements: 4
• Space group number: 5
• Hermann-Mauguin space group symbol: C 1 2 1
• Hall space group symbol: C 2y
• Residual factor for all reflections: 0.0497
• Residual factor for significantly intense reflections: 0.0375
• Weighted residual factors for significantly intense reflections: 0.0818
• Weighted residual factors for all reflections included in the refinement: 0.0854
• Goodness-of-fit parameter for all reflections included in the refinement: 0.937
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No