Information card for entry 7221779

Structure parameters

• Formula: C17 H17 N O2
• Calculated formula: C17 H17 N O2
• SMILES: N(c1ccc(C(=O)C)cc1)(C)c1ccc(cc1)C(=O)C
• Title of publication: Crystallization of triple- and quadruple-stranded dinuclear bis-β-diketonate-Dy(iii) helicates: single molecule magnetic behavior
• Authors of publication: Chen, Peng; Li, Hongfeng; Sun, Wenbin; Tang, Jinkui; Zhang, Lei; Yan, Pengfei
• Journal of publication: CrystEngComm
• Year of publication: 2015
• Journal volume: 17
• Journal issue: 37
• Pages of publication: 7227
• a: 8.2376 ± 0.0006 Å
• b: 8.5362 ± 0.0007 Å
• c: 10.4219 ± 0.0009 Å
• α: 94.615 ± 0.007°
• β: 98.69 ± 0.007°
• γ: 99.967 ± 0.007°
• Cell volume: 709.21 ± 0.1 ų
• Cell temperature: 150 K
• Ambient diffraction temperature: 150 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: 0.0739
• Residual factor for significantly intense reflections: 0.0476
• Weighted residual factors for significantly intense reflections: 0.1089
• Weighted residual factors for all reflections included in the refinement: 0.1295
• Goodness-of-fit parameter for all reflections included in the refinement: 1.031
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No