Information card for entry 1508317

Structure parameters

• Formula: C38 H37 N O3 S Si
• Calculated formula: C38 H37 N O3 S Si
• SMILES: c1(ccc(cc1)C)S(=O)(=O)N[C@H](c1ccccc1)[C@@H](CCC)C1=Cc2c(cccc2)[Si](O1)(c1ccccc1)c1ccccc1.c1(ccc(cc1)C)S(=O)(=O)N[C@@H](c1ccccc1)[C@H](CCC)C1=Cc2c(cccc2)[Si](O1)(c1ccccc1)c1ccccc1
• Title of publication: Gold-catalyzed hydrosilyloxylation driving tandem aldol and mannich reactions.
• Authors of publication: Kang, Dongjin; Park, Sangjune; Ryu, Taekyu; Lee, Phil Ho
• Journal of publication: Organic letters
• Year of publication: 2012
• Journal volume: 14
• Journal issue: 15
• Pages of publication: 3912 - 3915
• a: 15.0916 ± 0.0008 Å
• b: 15.9436 ± 0.0005 Å
• c: 15.3361 ± 0.0008 Å
• α: 90°
• β: 113.493 ± 0.002°
• γ: 90°
• Cell volume: 3384.2 ± 0.3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• 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: 0.1303
• Residual factor for significantly intense reflections: 0.0577
• Weighted residual factors for significantly intense reflections: 0.1108
• Weighted residual factors for all reflections included in the refinement: 0.1341
• Goodness-of-fit parameter for all reflections included in the refinement: 1.007
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No