Information card for entry 4109019

Structure parameters

• Common name: 1002FH ZH-760 C37H67BNO4Sn chiral xx1
• Formula: C37 H68 B N O4 Sn
• Calculated formula: C37 H68 B N O4 Sn
• SMILES: [Sn]([C@H]1[B]2(OC(N3C(CCCC3(C)C)(C)C)=[O]1)O[C@H](C1CCCCC1)[C@H](O2)C1CCCCC1)(C)(C)[C@H]1[C@@H](CC[C@H](C1)C)C(C)C
• Title of publication: Preparation of Chiral α-Oxy-[2H1]methyllithiums of 99% ee and Determination of Their Configurational Stability
• Authors of publication: Dagmar Kapeller; Roland Barth; Kurt Mereiter; Friedrich Hammerschmidt
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2007
• Journal volume: 129
• Pages of publication: 914 - 923
• a: 12.6228 ± 0.0005 Å
• b: 15.3039 ± 0.0006 Å
• c: 20.0687 ± 0.0008 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3876.8 ± 0.3 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 6
• 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: 0.0172
• Residual factor for significantly intense reflections: 0.0165
• Weighted residual factors for significantly intense reflections: 0.042
• Weighted residual factors for all reflections included in the refinement: 0.0424
• Goodness-of-fit parameter for all reflections included in the refinement: 1.04
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No