Information card for entry 7204432

Structure parameters

• Formula: C14 H25 N O3 Si
• Calculated formula: C14 H25 N O3 Si
• SMILES: [Si](C1=CCO[C@]1(C)C(=O)N1CCC[C@H]1CO)(C)(C)C
• Title of publication: Partial reduction of 3-heteroatom substituted 2-furoic acids: the role of an ortho group in viability and stereoselectivity
• Authors of publication: Timothy J. Donohoe; Andrew A. Calabrese; Jean-Baptiste Guillermin; Daryl Walter
• Journal of publication: J. Chem. Soc., Perkin Trans. 1
• Year of publication: 2002
• Journal issue: 15
• Pages of publication: 1748 - 1756
• a: 9.1439 ± 0.0011 Å
• b: 11.6771 ± 0.0015 Å
• c: 15.438 ± 0.002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1648.4 ± 0.4 ų
• Cell temperature: 123 ± 1 K
• Ambient diffraction temperature: 123 ± 1 K
• Number of distinct elements: 5
• 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: 0.0365
• Residual factor for significantly intense reflections: 0.0335
• Weighted residual factors for significantly intense reflections: 0.0931
• Weighted residual factors for all reflections included in the refinement: 0.0952
• Goodness-of-fit parameter for all reflections included in the refinement: 1.002
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No