Information card for entry 4110327

Structure parameters

• Formula: C8 H18 O2
• Calculated formula: C8 H18 O2
• SMILES: C([C@@H](C)[C@@H](C(C)(C)C)O)O.C([C@H](C)[C@H](C(C)(C)C)O)O
• Title of publication: Tris(trimethylsilyl)silyl-Governed Aldehyde Cross-Aldol Cascade Reaction
• Authors of publication: Matthew B. Boxer; Hisashi Yamamoto
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2006
• Journal volume: 128
• Pages of publication: 48 - 49
• a: 11.631 ± 0.002 Å
• b: 9.4534 ± 0.0018 Å
• c: 8.2775 ± 0.0016 Å
• α: 90°
• β: 107.643 ± 0.003°
• γ: 90°
• Cell volume: 867.3 ± 0.3 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 3
• 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: 0.0453
• Residual factor for significantly intense reflections: 0.0424
• Weighted residual factors for significantly intense reflections: 0.1177
• Weighted residual factors for all reflections included in the refinement: 0.1205
• Goodness-of-fit parameter for all reflections included in the refinement: 1.048
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No