Information card for entry 4509082

Structure parameters

• Formula: C28 H28 N2 O2
• Calculated formula: C28 H28 N2 O2
• SMILES: c12ccccc1C(=O)c1cc3c(C(=O)c4c(cccc4)N3CCCC)cc1N2CCCC
• Title of publication: Polymorphs and Pseudopolymorphs ofN,N-Di(n-butyl)Quinacridone: Structures and Solid-State Luminescence Properties
• Authors of publication: Fan, Yan; Zhao, Yunfeng; Ye, Ling; Li, Bao; Yang, Guangdi; Wang, Yue
• Journal of publication: Crystal Growth & Design
• Year of publication: 2009
• Journal volume: 9
• Journal issue: 3
• Pages of publication: 1421
• a: 7.541 ± 0.0015 Å
• b: 14.766 ± 0.003 Å
• c: 20.209 ± 0.005 Å
• α: 90°
• β: 108.08 ± 0.03°
• γ: 90°
• Cell volume: 2139.2 ± 0.9 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: 0.0852
• Residual factor for significantly intense reflections: 0.048
• Weighted residual factors for significantly intense reflections: 0.1249
• Weighted residual factors for all reflections included in the refinement: 0.1436
• Goodness-of-fit parameter for all reflections included in the refinement: 0.996
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No