Information card for entry 1503594

Structure parameters

• Common name: Organic
• Chemical name: Organic
• Formula: C21 H33 N O5 Si
• Calculated formula: C21 H33 N O5 Si
• SMILES: c1(c(cc(cc1C)C)C)NC(=O)C(C(=O)OC)CC(=O)O[Si](C)(C)C(C)(C)C
• Title of publication: Unexpected Catalytic Reactions of Silyl-Protected Enol Diazoacetates with Nitrile Oxides That Form 5-Arylaminofuran-2(3H)-one-4-carboxylates.
• Authors of publication: Xu, Xinfang; Shabashov, Dmitry; Zavalij, Peter Y.; Doyle, Michael P.
• Journal of publication: Organic letters
• Year of publication: 2012
• Journal volume: 14
• Journal issue: 3
• Pages of publication: 800 - 803
• a: 15.1773 ± 0.0009 Å
• b: 9.148 ± 0.0006 Å
• c: 16.963 ± 0.001 Å
• α: 90°
• β: 94.546 ± 0.001°
• γ: 90°
• Cell volume: 2347.8 ± 0.2 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0489
• Residual factor for significantly intense reflections: 0.0381
• Weighted residual factors for significantly intense reflections: 0.0729
• Weighted residual factors for all reflections included in the refinement: 0.0762
• Goodness-of-fit parameter for all reflections included in the refinement: 1
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No