Information card for entry 2203863

Structure parameters

• Chemical name: 4-[(Z)-(2-Fluorenylamino)phenylmethylene]-5-methyl-2-phenyl-2H-pyrazol-3(4H)-one
• Formula: C30 H23 N3 O
• Calculated formula: C30 H23 N3 O
• SMILES: O=C1N(N=C(/C1=C(/Nc1ccc2c(c1)Cc1c2cccc1)c1ccccc1)C)c1ccccc1
• Title of publication: 4-[(<i>Z</i>)-(2-Fluorenylamino)phenylmethylene]-5-methyl-2-phenyl-2<i>H</i>-pyrazol-3(4<i>H</i>)-one
• Authors of publication: Bao, Feng; Lü, Xing-Qiang; Wu, Qing; Ng, Seik Weng
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2004
• Journal volume: 60
• Journal issue: 7
• Pages of publication: o1244 - o1245
• a: 9.7 ± 0.001 Å
• b: 22.441 ± 0.003 Å
• c: 10.638 ± 0.001 Å
• α: 90°
• β: 94.583 ± 0.003°
• γ: 90°
• Cell volume: 2308.3 ± 0.4 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 4
• 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: 0.0941
• Residual factor for significantly intense reflections: 0.0422
• Weighted residual factors for significantly intense reflections: 0.0946
• Weighted residual factors for all reflections included in the refinement: 0.116
• Goodness-of-fit parameter for all reflections included in the refinement: 1
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes