Information card for entry 8102845

Structure parameters

• Chemical name: 1,1'-(pyridin-2,6-diyl)bis-3-<i>p-</i>tolylpropane-1,3-dione, C~25~H~21~NO~4~
• Formula: C25 H21 N O4
• Calculated formula: C25 H21 N O4
• Title of publication: Crystal structure of 1,1'-(pyridin-2,6-diyl)bis-3-p-tolylpropane-1,3-dione, C25H21NO4
• Authors of publication: Sheng-Li Liu; Jin-Liang Zhu; Tao Ouyang
• Journal of publication: Zeitschrift für Kristallographie - New Crystal Structures
• Year of publication: 2010
• Journal volume: 225
• Journal issue: 4
• Pages of publication: 643
• a: 19.2915 ± 0.0018 Å
• b: 9.7207 ± 0.0011 Å
• c: 11.1047 ± 0.0011 Å
• α: 90°
• β: 100.831 ± 0.004°
• γ: 90°
• Cell volume: 2045.3 ± 0.4 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 4
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0631
• Residual factor for significantly intense reflections: 0.0439
• Weighted residual factors for significantly intense reflections: 0.1296
• Weighted residual factors for all reflections included in the refinement: 0.1451
• Goodness-of-fit parameter for all reflections included in the refinement: 1.008
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No