Information card for entry 1506362

Structure parameters

• Common name: Dibutyl-tetramethyl-quinacridone
• Formula: C32 H36 N2 O2
• Calculated formula: C32 H36 N2 O2
• SMILES: O=C1c2c(cc(cc2N(c2c1cc1N(c3c(C(=O)c1c2)c(cc(c3)C)C)CCCC)CCCC)C)C
• 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: 5.0894 ± 0.0001 Å
• b: 16.0916 ± 0.0013 Å
• c: 15.8959 ± 0.0004 Å
• α: 90°
• β: 98.732 ± 0.002°
• γ: 90°
• Cell volume: 1286.73 ± 0.11 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/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.1847
• Residual factor for significantly intense reflections: 0.0619
• Weighted residual factors for significantly intense reflections: 0.1559
• Weighted residual factors for all reflections included in the refinement: 0.1983
• Goodness-of-fit parameter for all reflections included in the refinement: 0.729
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No