Information card for entry 2237798

Structure parameters

• Chemical name: 6'-(1,3-Diphenyl-1<i>H</i>-pyrazol-4-yl)-7'-(1<i>H</i>-indol-3-ylcarbonyl)-2-oxo-1-(prop-2-en-1-yl)-5',6',7',7a'-tetrahydro-1'<i>H</i>-spiro[indoline-3,5'-pyrrolo[1,2-<i>c</i>][1,3]thiazole]-7'-carbonitrile
• Formula: C41 H32 N6 O2 S
• Calculated formula: C41 H32 N6 O2 S
• Title of publication: 6'-(1,3-Diphenyl-1<i>H</i>-pyrazol-4-yl)-7'-(1<i>H</i>-indol-3-ylcarbonyl)-2-oxo-1-(prop-2-en-1-yl)-5',6',7',7a'-tetrahydro-1'<i>H</i>-spiro[indoline-3,5'-pyrrolo[1,2-<i>c</i>][1,3]thiazole]-7'-carbonitrile
• Authors of publication: Kannan, Piskala Subburaman; Kathirvelan, Devaraj; Reddy, Boreddy Siva Rami; Govindan, Elumalai; SubbiahPandi, Arunachalathevar
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2013
• Journal volume: 69
• Journal issue: 6
• Pages of publication: o857 - o858
• a: 10.7396 ± 0.001 Å
• b: 16.3471 ± 0.0014 Å
• c: 20.112 ± 0.002 Å
• α: 90°
• β: 105.485 ± 0.004°
• γ: 90°
• Cell volume: 3402.7 ± 0.6 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.1125
• Residual factor for significantly intense reflections: 0.0488
• Weighted residual factors for significantly intense reflections: 0.1055
• Weighted residual factors for all reflections included in the refinement: 0.1463
• Goodness-of-fit parameter for all reflections included in the refinement: 1.063
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: Yes