Information card for entry 7223620

Structure parameters

• Formula: C26 H23 N2 O5 S
• Calculated formula: C26 H23 N2 O5 S
• Title of publication: Construction of pyrazolo[5,1-a]isoindol-8(3aH)-one derivatives via phosphine-catalyzed cyclization of electron-deficient alkynes and N-amino substituted phthalimide
• Authors of publication: Zhou, Qing-Fa; Ge, Fei-Fei; Chen, Qing-Qing; Lu, Tao
• Journal of publication: RSC Adv.
• Year of publication: 2016
• Journal volume: 6
• Journal issue: 2
• Pages of publication: 1395
• a: 11.126 ± 0.002 Å
• b: 11.135 ± 0.002 Å
• c: 11.58 ± 0.002 Å
• α: 64.26 ± 0.03°
• β: 64.9 ± 0.03°
• γ: 89.98 ± 0.03°
• Cell volume: 1140.1 ± 0.6 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1526
• Residual factor for significantly intense reflections: 0.0695
• Weighted residual factors for significantly intense reflections: 0.1456
• Weighted residual factors for all reflections included in the refinement: 0.1852
• Goodness-of-fit parameter for all reflections included in the refinement: 1
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No