Information card for entry 2241534

Structure parameters

• Chemical name: 3-{5-[3-(4-Fluorophenyl)-1-isopropyl-1<i>H</i>-indol-2-yl]-1<i>H</i>-pyrazol-1-yl}indolin-2-one ethanol monosolvate
• Formula: C30 H29 F N4 O2
• Calculated formula: C30 H29 F N4 O2
• Title of publication: Crystal structure of 3-{5-[3-(4-fluorophenyl)-1-isopropyl-1<i>H</i>-indol-2-yl]-1<i>H</i>-pyrazol-1-yl}indolin-2-one ethanol monosolvate
• Authors of publication: Rahman, Md. Lutfor; Kulkarni, Ajaykumar D.; Mohd. Yusoff, Mashitah; Kwong, Huey Chong; Quah, Ching Kheng
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2016
• Journal volume: 72
• Journal issue: 3
• Pages of publication: 283 - 286
• a: 9.9754 ± 0.0008 Å
• b: 10.2139 ± 0.0008 Å
• c: 14.0294 ± 0.0011 Å
• α: 75.7386 ± 0.0015°
• β: 71.0062 ± 0.0014°
• γ: 83.1264 ± 0.0014°
• Cell volume: 1308.73 ± 0.18 ų
• Cell temperature: 297 K
• Ambient diffraction temperature: 297 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: 0.0955
• Residual factor for significantly intense reflections: 0.0569
• Weighted residual factors for significantly intense reflections: 0.1119
• Weighted residual factors for all reflections included in the refinement: 0.1304
• Goodness-of-fit parameter for all reflections included in the refinement: 1.206
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: Yes