Information card for entry 4323282

Structure parameters

• Common name: MeCOC(Ph):C(Me)OH
• Formula: C11 H12 O2
• Calculated formula: C11 H12 O2
• Title of publication: Monomer-Trimer Isomerism in 3-Substituted Pentane-2,4-dione Derivatives of Nickel(II)
• Authors of publication: A. Döhring; R. Goddard; P. W. Jolly; C. Krüger; V. R. Polyakov
• Journal of publication: Inorganic Chemistry
• Year of publication: 1997
• Journal volume: 36
• Pages of publication: 177 - 183
• a: 19.2961 ± 0.0006 Å
• b: 6.8561 ± 0.0002 Å
• c: 7.5935 ± 0.0002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1004.59 ± 0.05 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 3
• Space group number: 62
• Hermann-Mauguin space group symbol: P n m a
• Hall space group symbol: -P 2ac 2n
• Residual factor for all reflections: 0.0756
• Residual factor for significantly intense reflections: 0.0708
• Weighted residual factors for all reflections: 0.2381
• Weighted residual factors for significantly intense reflections: 0.2317
• Goodness-of-fit parameter for all reflections: 1.154
• Goodness-of-fit parameter for significantly intense reflections: 1.207
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No