Information card for entry 1503868

Structure parameters

• Formula: C23 H25 N O6
• Calculated formula: C23 H25 N O6
• SMILES: O=C1CC(C)(C)CC(=O)C21OC1=C(C2c2cc(N(=O)=O)ccc2)C(=O)CC(C1)(C)C
• Title of publication: Selective formation of spiro dihydrofurans and cyclopropanes through unexpected reaction of aldehydes with 1,3-dicarbonyl compounds.
• Authors of publication: Wang, Guan-Wu; Gao, Jie
• Journal of publication: Organic letters
• Year of publication: 2009
• Journal volume: 11
• Journal issue: 11
• Pages of publication: 2385 - 2388
• a: 12.8 ± 0.003 Å
• b: 16.1 ± 0.003 Å
• c: 11.14 ± 0.002 Å
• α: 90°
• β: 113.93 ± 0.03°
• γ: 90°
• Cell volume: 2098.4 ± 0.9 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.1269
• Residual factor for significantly intense reflections: 0.0736
• Weighted residual factors for significantly intense reflections: 0.1612
• Weighted residual factors for all reflections included in the refinement: 0.2229
• 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