Information card for entry 1513257

Structure parameters

• Formula: C36 H42 F2 N2 O2
• Calculated formula: C36 H42 F2 N2 O2
• SMILES: CCCCCCCCN1c2cc3c(cc2C(=O)c2c1ccc(c2)F)N(CCCCCCCC)c1c(C3=O)cc(cc1)F
• Title of publication: Alkyl Chain Length Dependent Morphology and Emission Properties of the Organic Micromaterials Based on Fluorinated Quinacridone Derivatives
• Authors of publication: Zhao, Yunfeng; Mu, Xiaoyue; Bao, Chunxiao; Fan, Yan; Zhang, Jingying; Wang, Yue
• Journal of publication: Langmuir
• Year of publication: 2009
• Journal volume: 25
• Journal issue: 5
• Pages of publication: 3264 - 3270
• a: 8.093 ± 0.0016 Å
• b: 8.8966 ± 0.0018 Å
• c: 12.017 ± 0.002 Å
• α: 110.82 ± 0.03°
• β: 101.89 ± 0.03°
• γ: 99.42 ± 0.03°
• Cell volume: 764.4 ± 0.4 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0858
• Residual factor for significantly intense reflections: 0.0516
• Weighted residual factors for significantly intense reflections: 0.1705
• Weighted residual factors for all reflections included in the refinement: 0.2084
• Goodness-of-fit parameter for all reflections included in the refinement: 0.709
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No