Information card for entry 8103173

Structure parameters

• Formula: C23 H20 N4 O3
• Calculated formula: C23 H20 N4 O3
• Title of publication: Crystal structure of 1-(4-ethylphenyl)-2-nicotinoyl-3-(1H-benzo[d]-1,2,3-triazol-1-yl)-1-oxopropan, C23H20N4O3
• Authors of publication: Wu-Lan Zeng
• Journal of publication: Zeitschrift für Kristallographie - New Crystal Structures
• Year of publication: 2011
• Journal volume: 226
• Journal issue: 3
• Pages of publication: 407
• a: 19.43 ± 0.004 Å
• b: 5.3621 ± 0.0011 Å
• c: 19.692 ± 0.004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2051.6 ± 0.7 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• Space group number: 29
• Hermann-Mauguin space group symbol: P c a 21
• Hall space group symbol: P 2c -2ac
• Residual factor for all reflections: 0.1394
• Residual factor for significantly intense reflections: 0.0513
• Weighted residual factors for significantly intense reflections: 0.104
• Weighted residual factors for all reflections included in the refinement: 0.1332
• Goodness-of-fit parameter for all reflections included in the refinement: 0.986
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No