Information card for entry 2228124

Structure parameters

• Chemical name: 5-(Anthracen-9-yl)-3-(4-nitrophenyl)-1-phenyl-4,5-dihydro-1<i>H</i>-pyrazole
• Formula: C29 H21 N3 O2
• Calculated formula: C29 H21 N3 O2
• SMILES: N1=C(c2ccc(N(=O)=O)cc2)CC(c2c3c(cc4c2cccc4)cccc3)N1c1ccccc1
• Title of publication: 5-(Anthracen-9-yl)-3-(4-nitrophenyl)-1-phenyl-4,5-dihydro-1<i>H</i>-pyrazole
• Authors of publication: Dong, Bao-Li; Wang, Ming-Liang; Li, Yong-Hua
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2010
• Journal volume: 66
• Journal issue: 11
• Pages of publication: o2786
• a: 23.023 ± 0.005 Å
• b: 10.195 ± 0.002 Å
• c: 9.2005 ± 0.0018 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2159.5 ± 0.8 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: 0.0565
• Residual factor for significantly intense reflections: 0.0436
• Weighted residual factors for significantly intense reflections: 0.0899
• Weighted residual factors for all reflections included in the refinement: 0.0954
• Goodness-of-fit parameter for all reflections included in the refinement: 1.084
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes