Information card for entry 7213447

Structure parameters

• Formula: C30 H36 N2 Si
• Calculated formula: C30 H36 N2 Si
• SMILES: [Si]1(n2ccccc2=C2N1[C@H]1[C@@H](C2)CCC1)(c1c(cc(cc1C)C)C)c1c(cc(cc1C)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: 7.5318 ± 0.0002 Å
• b: 13.3032 ± 0.0005 Å
• c: 25.6712 ± 0.0005 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2572.18 ± 0.13 ų
• Cell temperature: 193 ± 2 K
• Ambient diffraction temperature: 193 ± 2 K
• Number of distinct elements: 4
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0455
• Residual factor for significantly intense reflections: 0.0414
• Weighted residual factors for significantly intense reflections: 0.1121
• Weighted residual factors for all reflections included in the refinement: 0.1161
• Goodness-of-fit parameter for all reflections included in the refinement: 1.056
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No