Information card for entry 7200986

Structure parameters

• Formula: C52 H76 N2 O2
• Calculated formula: C52 H76 N2 O2
• SMILES: c12n(c3cc4c(=O)c5c(cccc5)n(c4cc3c(=O)c2cccc1)CCCCCCCCCCCCCCCC)CCCCCCCCCCCCCCCC
• Title of publication: Polymorphs and luminescent properties of a cetyl substituted quinacridone derivative
• Authors of publication: Fan, Yan; Song, Weifeng; Yu, Dingyi; Ye, Kaiqi; Zhang, Jingying; Wang, Yue
• Journal of publication: CrystEngComm
• Year of publication: 2009
• Journal volume: 11
• Journal issue: 8
• Pages of publication: 1716
• a: 21.731 ± 0.004 Å
• b: 7.2815 ± 0.0015 Å
• c: 14.91 ± 0.003 Å
• α: 90°
• β: 101.49 ± 0.03°
• γ: 90°
• Cell volume: 2312 ± 0.8 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: 0.158
• Residual factor for significantly intense reflections: 0.0572
• Weighted residual factors for significantly intense reflections: 0.1271
• Weighted residual factors for all reflections included in the refinement: 0.1605
• Goodness-of-fit parameter for all reflections included in the refinement: 0.963
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No