Information card for entry 4509081

Structure parameters

• Formula: C28 H28 N2 O2
• Calculated formula: C28 H28 N2 O2
• SMILES: O=C1c2cc3c(cc2N(c2c1cccc2)CCCC)C(=O)c1c(N3CCCC)cccc1
• 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: 7.2362 ± 0.0014 Å
• b: 14.737 ± 0.003 Å
• c: 10.36 ± 0.002 Å
• α: 90°
• β: 106.6 ± 0.03°
• γ: 90°
• Cell volume: 1058.7 ± 0.4 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: 0.0582
• Residual factor for significantly intense reflections: 0.0421
• Weighted residual factors for significantly intense reflections: 0.1145
• Weighted residual factors for all reflections included in the refinement: 0.1231
• Goodness-of-fit parameter for all reflections included in the refinement: 1.01
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No