Information card for entry 1503593

Structure parameters

• Common name: Organic
• Chemical name: Organic
• Formula: C15 H17 N O4
• Calculated formula: C15 H17 N O4
• SMILES: N(c1c(cc(cc1C)C)C)C1=C(CC(=O)O1)C(=O)OC
• 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: 11.8866 ± 0.0008 Å
• b: 15.5331 ± 0.001 Å
• c: 7.554 ± 0.0005 Å
• α: 90°
• β: 104.626 ± 0.001°
• γ: 90°
• Cell volume: 1349.54 ± 0.15 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 4
• 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: 0.0442
• Residual factor for significantly intense reflections: 0.0407
• Weighted residual factors for significantly intense reflections: 0.08
• Weighted residual factors for all reflections included in the refinement: 0.0816
• 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