Information card for entry 1506361

Structure parameters

• Common name: 5,12-Dibutyl-quinacridone
• Formula: C28 H28 N2 O2
• Calculated formula: C28 H28 N2 O2
• SMILES: N1(c2c(C(=O)c3c1cc1C(=O)c4ccccc4N(c1c3)CCCC)cccc2)CCCC
• Title of publication: Supramolecular structures and assembly and luminescent properties of quinacridone derivatives.
• Authors of publication: Ye, Kaiqi; Wang, Jia; Sun, Hui; Liu, Yu; Mu, Zhongcheng; Li, Fei; Jiang, Shimei; Zhang, Jingying; Zhang, Hongxing; Wang, Yue; Che, Chi-Ming
• Journal of publication: The journal of physical chemistry. B
• Year of publication: 2005
• Journal volume: 109
• Journal issue: 16
• Pages of publication: 8008 - 8016
• a: 7.4962 ± 0.0002 Å
• b: 14.7065 ± 0.0004 Å
• c: 19.2131 ± 0.0004 Å
• α: 90°
• β: 93.091 ± 0.002°
• γ: 90°
• Cell volume: 2115.03 ± 0.09 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0763
• Residual factor for significantly intense reflections: 0.0491
• Weighted residual factors for significantly intense reflections: 0.1283
• Weighted residual factors for all reflections included in the refinement: 0.1361
• Goodness-of-fit parameter for all reflections included in the refinement: 0.947
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No