Information card for entry 1506154

Structure parameters

• Formula: C27 H29 N O2 Si
• Calculated formula: C27 H29 N O2 Si
• SMILES: c1(cc2ccccc2cc1)[C@@H](C)NC(=O)[C@H](O)C(=C\C#Cc1ccccc1)\[Si](C)(C)C
• Title of publication: Alpha-hydroxy esters via enantioselective hydrogen-mediated C-C coupling: regiocontrolled reactions of silyl-substituted 1,3-diynes.
• Authors of publication: Cho, Chang-Woo; Krische, Michael J.
• Journal of publication: Organic letters
• Year of publication: 2006
• Journal volume: 8
• Journal issue: 17
• Pages of publication: 3873 - 3876
• a: 6.0952 ± 0.0003 Å
• b: 16.8339 ± 0.0008 Å
• c: 11.9653 ± 0.0006 Å
• α: 90°
• β: 96.885 ± 0.002°
• γ: 90°
• Cell volume: 1218.86 ± 0.1 ų
• Cell temperature: 153 ± 2 K
• Ambient diffraction temperature: 153 ± 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: 0.0572
• Residual factor for significantly intense reflections: 0.0389
• Weighted residual factors for significantly intense reflections: 0.0784
• Weighted residual factors for all reflections included in the refinement: 0.0859
• Goodness-of-fit parameter for all reflections included in the refinement: 1.032
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No