Information card for entry 2218969

Structure parameters

• Chemical name: 3-[4-(Dimethylamino)phenyl]-1,5-diphenylpentane-1,5-dione
• Formula: C25 H25 N O2
• Calculated formula: C25 H25 N O2
• SMILES: CN(c1ccc(cc1)C(CC(=O)c1ccccc1)CC(=O)c1ccccc1)C
• Title of publication: 3-[4-(Dimethylamino)phenyl]-1,5-diphenylpentane-1,5-dione
• Authors of publication: He, Qing-Peng; Qin, Xiao-Qiang; Wang, Xiao; Shi, Qiu-Lan; Wang, Yong
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2008
• Journal volume: 64
• Journal issue: 8
• Pages of publication: o1652
• a: 9.926 ± 0.001 Å
• b: 11.3749 ± 0.0014 Å
• c: 18.853 ± 0.002 Å
• α: 90.443 ± 0.001°
• β: 94.782 ± 0.001°
• γ: 99.862 ± 0.002°
• Cell volume: 2089.4 ± 0.4 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1422
• Residual factor for significantly intense reflections: 0.0518
• Weighted residual factors for significantly intense reflections: 0.102
• Weighted residual factors for all reflections included in the refinement: 0.1385
• Goodness-of-fit parameter for all reflections included in the refinement: 0.994
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes