Information card for entry 7157189

Structure parameters

• Formula: C32 H32 N2 O7
• Calculated formula: C32 H32 N2 O7
• Title of publication: Organocatalytic enantioselective conjugate addition of pyrazolin-5-ones to arylomethylidene malonates.
• Authors of publication: Sharma, Arun; Sharma, Vivek; Chimni, Swapandeep Singh
• Journal of publication: Organic & biomolecular chemistry
• Year of publication: 2019
• Journal volume: 17
• Journal issue: 43
• Pages of publication: 9514
• a: 13 ± 0.005 Å
• b: 13.405 ± 0.005 Å
• c: 17.492 ± 0.007 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3048 ± 2 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 4
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0992
• Residual factor for significantly intense reflections: 0.0664
• Weighted residual factors for significantly intense reflections: 0.1851
• Weighted residual factors for all reflections included in the refinement: 0.2191
• Goodness-of-fit parameter for all reflections included in the refinement: 1.011
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No