Information card for entry 8106417

Structure parameters

• Formula: C28 H19 N5 O2
• Calculated formula: C28 H19 N5 O2
• Title of publication: Crystal structure of 2-((3-(5-methyl-1-phenyl-1H-1,2,3-triazol-4-yl)-1-phenyl-1H-pyrazol-4-yl)methylene)-1H-indene-1,3(2H)-dione, C28H19N5O2
• Authors of publication: El-Hiti, Gamal A.; Abdel-Wahab, Bakr F.; Hegazy, Amany S.; Alamri, Mesfer; Kariuki, Benson M.
• Journal of publication: Zeitschrift für Kristallographie - New Crystal Structures
• Year of publication: 2017
• Journal volume: 232
• Journal issue: 1
• Pages of publication: 19 - 20
• a: 13.9896 ± 0.0009 Å
• b: 21.9561 ± 0.0014 Å
• c: 7.1643 ± 0.0005 Å
• α: 90°
• β: 91.782 ± 0.006°
• γ: 90°
• Cell volume: 2199.5 ± 0.3 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 4
• Space group number: 9
• Hermann-Mauguin space group symbol: C 1 c 1
• Hall space group symbol: C -2yc
• Residual factor for all reflections: 0.1105
• Residual factor for significantly intense reflections: 0.0632
• Weighted residual factors for significantly intense reflections: 0.1376
• Weighted residual factors for all reflections included in the refinement: 0.1727
• Goodness-of-fit parameter for all reflections included in the refinement: 0.992
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No