Information card for entry 7238894

Structure parameters

• Common name: ((5R,7S)-7-isopropoxy-3-(4-nitrophenyl)-4-oxo-2-phenyl- 2,4,5,7-tetrahydropyrano(3,4-c)pyrazol-5-yl) methyl acetate
• Chemical name: ((5R,7S)-7-isopropoxy-3-(4-nitrophenyl)-4-oxo-2- phenyl-2,4,5,7-tetrahydropyrano[3,4-c]pyrazol-5-yl) methyl acetate
• Formula: C24 H23 N3 O7
• Calculated formula: C24 H23 N3 O7
• Title of publication: Regioselective synthesis of densely functionalized, enantiopure, sugar–pyrazole hybrids as potential scaffolds for drug discovery
• Authors of publication: Saquib, Mohammad; Husain, Irfan; Kant, Ruchir; Meena, Sanjeev; Gauniyal, H. M.; Sinha, Sudhir; Maulik, P. R.; Shaw, Arun K.
• Journal of publication: RSC Advances
• Year of publication: 2013
• Journal volume: 3
• Journal issue: 14
• Pages of publication: 4526
• a: 5.9798 ± 0.0009 Å
• b: 14.147 ± 0.002 Å
• c: 25.909 ± 0.004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2191.8 ± 0.6 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 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: 0.0624
• Residual factor for significantly intense reflections: 0.0464
• Weighted residual factors for significantly intense reflections: 0.0927
• Weighted residual factors for all reflections included in the refinement: 0.101
• Goodness-of-fit parameter for all reflections included in the refinement: 1.004
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No