Information card for entry 1503869

Structure parameters

• Formula: C25 H13 N O6
• Calculated formula: C25 H13 N O6
• SMILES: O=C1C2(C3(C2c2cccc(N(=O)=O)c2)C(=O)c2c(C3=O)cccc2)C(=O)c2c1cccc2
• 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: 10.2632 ± 0.0012 Å
• b: 17.437 ± 0.002 Å
• c: 11.4706 ± 0.0013 Å
• α: 90°
• β: 110.341 ± 0.003°
• γ: 90°
• Cell volume: 1924.8 ± 0.4 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: 0.1243
• Residual factor for significantly intense reflections: 0.0544
• Weighted residual factors for significantly intense reflections: 0.0875
• Weighted residual factors for all reflections included in the refinement: 0.1069
• Goodness-of-fit parameter for all reflections included in the refinement: 0.813
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No