Information card for entry 1513230

Structure parameters

• Formula: C33 H33 N O2 Si
• Calculated formula: C33 H33 N O2 Si
• SMILES: [Si](O[C@H]1C(=O)N(CC21CCCCC2)c1ccccc1)(c1ccccc1)(c1ccccc1)c1ccccc1
• Title of publication: Silylation-Based Kinetic Resolution of α-Hydroxy Lactones and Lactams.
• Authors of publication: Clark, Robert W.; Deaton, T. Maxwell; Zhang, Yan; Moore, Maggie I.; Wiskur, Sheryl L.
• Journal of publication: Organic letters
• Year of publication: 2013
• Journal volume: 15
• Journal issue: 24
• Pages of publication: 6132 - 6135
• a: 7.9327 ± 0.0014 Å
• b: 11.455 ± 0.002 Å
• c: 14.741 ± 0.003 Å
• α: 90°
• β: 91.991 ± 0.004°
• γ: 90°
• Cell volume: 1338.7 ± 0.4 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0598
• Residual factor for significantly intense reflections: 0.0466
• Weighted residual factors for significantly intense reflections: 0.0851
• Weighted residual factors for all reflections included in the refinement: 0.0907
• Goodness-of-fit parameter for all reflections included in the refinement: 1.064
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No