Information card for entry 4508773

Structure parameters

• Formula: C20 H14 N2 O2
• Calculated formula: C20 H14 N2 O2
• SMILES: C(=C\c1ccc2cccc(c2n1)O)/c1ccc2cccnc2c1O
• Title of publication: Synthesis, Crystal Structure, and Prediction of Hole Mobilities of 2,7‘-Ethylenebis(8-hydroxyquinoline)
• Authors of publication: Zeng, He-Ping; OuYang, Xin-Hua; Wang, Ting-Ting; Yuan, Guo-Zan; Zhang, Guang-Hui; Zhang, Xin-min
• Journal of publication: Crystal Growth & Design
• Year of publication: 2006
• Journal volume: 6
• Journal issue: 7
• Pages of publication: 1697
• a: 7.473 ± 0.001 Å
• b: 8.3233 ± 0.0011 Å
• c: 13.1239 ± 0.0017 Å
• α: 102.054 ± 0.002°
• β: 95.03 ± 0.002°
• γ: 109.753 ± 0.002°
• Cell volume: 740.15 ± 0.17 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0656
• Residual factor for significantly intense reflections: 0.0427
• Weighted residual factors for significantly intense reflections: 0.1122
• Weighted residual factors for all reflections included in the refinement: 0.1308
• Goodness-of-fit parameter for all reflections included in the refinement: 1.022
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No