Information card for entry 2003640

Structure parameters

• Formula: C17 H14 N2 O2
• Calculated formula: C17 H14 N2 O2
• Title of publication: Keto and Enol Tautomers of 4-Benzoyl-3-methyl-1-phenyl-5(2<i>H</i>)-pyrazolone
• Authors of publication: Akama, Y.; Shiro, M.; Ueda, T.; Kajitani, M.
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1995
• Journal volume: 51
• Journal issue: 7
• Pages of publication: 1310 - 1314
• a: 11.44 ± 0.004 Å
• b: 9.11 ± 0.007 Å
• c: 13.51 ± 0.009 Å
• α: 90°
• β: 90.8 ± 0.3°
• γ: 90°
• Cell volume: 1407.9 ± 1.5 ų
• Cell temperature: 293 K
• Number of distinct elements: 4
• Hermann-Mauguin space group symbol: P 1 21/a 1
• Hall space group symbol: -P 2yab
• Residual factor for significantly intense reflections: 0.063
• Weighted residual factors for significantly intense reflections: 0.077
• Goodness-of-fit parameter for significantly intense reflections: 2.19
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No