Information card for entry 1505888

Structure parameters

• Formula: C15 H9 N O6
• Calculated formula: C15 H9 N O6
• SMILES: O=N(=O)C(=C\c1ccoc1)/C1(O)C(=O)c2ccccc2C1=O
• Title of publication: Hydroxyalkylation of conjugated nitroalkenes with activated nonenolizable carbonyl compounds.
• Authors of publication: Deb, Indubhusan; Dadwal, Mamta; Mobin, Shaikh M.; Namboothiri, Irishi N. N.
• Journal of publication: Organic letters
• Year of publication: 2006
• Journal volume: 8
• Journal issue: 6
• Pages of publication: 1201 - 1204
• a: 7.4374 ± 0.0004 Å
• b: 8.0243 ± 0.0006 Å
• c: 11.3999 ± 0.0015 Å
• α: 90°
• β: 92.67 ± 0.007°
• γ: 90°
• Cell volume: 679.61 ± 0.11 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• Space group number: 11
• Hermann-Mauguin space group symbol: P 1 21/m 1
• Hall space group symbol: -P 2yb
• Residual factor for all reflections: 0.0603
• Residual factor for significantly intense reflections: 0.0412
• Weighted residual factors for significantly intense reflections: 0.1034
• Weighted residual factors for all reflections included in the refinement: 0.1126
• Goodness-of-fit parameter for all reflections included in the refinement: 1.049
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No