Information card for entry 2206452

Structure parameters

• Chemical name: 2,2'-(1,4-Phenylenedivinylene)diquinolin-8-ol
• Formula: C28 H20 N2 O2
• Calculated formula: C28 H20 N2 O2
• SMILES: Oc1cccc2c1nc(/C=C/c1ccc(cc1)/C=C/c1ccc3c(n1)c(O)ccc3)cc2
• Title of publication: 2,2'-(1,4-Phenylenedivinylene)diquinolin-8-ol
• Authors of publication: Cui, Jian-Zhong; Zhang, Dan; Hai-Bin Song; Tang, Xiang-Yang
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2005
• Journal volume: 61
• Journal issue: 8
• Pages of publication: o2372 - o2373
• a: 11.648 ± 0.006 Å
• b: 5.777 ± 0.003 Å
• c: 15.852 ± 0.008 Å
• α: 90°
• β: 100.74 ± 0.009°
• γ: 90°
• Cell volume: 1048 ± 0.9 ų
• Cell temperature: 294 ± 2 K
• Ambient diffraction temperature: 294 ± 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: 0.0832
• Residual factor for significantly intense reflections: 0.0444
• Weighted residual factors for significantly intense reflections: 0.0975
• Weighted residual factors for all reflections included in the refinement: 0.1184
• Goodness-of-fit parameter for all reflections included in the refinement: 1.021
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes