Information card for entry 7239179

Structure parameters

• Chemical name: 1-(1-(4-Fluorophenyl)-2-methyl-4-phenyl-1H-pyrrol-3-yl) ethanone
• Formula: C19 H16 F N O
• Calculated formula: C19 H16 F N O
• Title of publication: Montmorillonite clay catalyzed synthesis of functionalized pyrroles through domino four-component coupling of amines, aldehydes, 1,3-dicarbonyl compounds and nitroalkanes
• Authors of publication: Bharate, Jaideep B.; Sharma, Rajni; Aravinda, Subrayashastry; Gupta, Vivek K.; Singh, Baldev; Bharate, Sandip B.; Vishwakarma, Ram A.
• Journal of publication: RSC Advances
• Year of publication: 2013
• Journal volume: 3
• Journal issue: 44
• Pages of publication: 21736
• a: 9.798 ± 0.0013 Å
• b: 7.8015 ± 0.0009 Å
• c: 20.558 ± 0.002 Å
• α: 90°
• β: 98.077 ± 0.013°
• γ: 90°
• Cell volume: 1555.8 ± 0.3 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: 0.1052
• Residual factor for significantly intense reflections: 0.051
• Weighted residual factors for significantly intense reflections: 0.1129
• Weighted residual factors for all reflections included in the refinement: 0.1476
• Goodness-of-fit parameter for all reflections included in the refinement: 1.019
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No