Information card for entry 2220398

Structure parameters

• Chemical name: 2,2'-Bis(4-fluoroanilino)-3,3'-(3,6-dioxaoctane-1,8- diyl)diquinazolin-4(3<i>H</i>)-one
• Formula: C34 H30 F2 N6 O4
• Calculated formula: C34 H30 F2 N6 O4
• SMILES: Fc1ccc(cc1)Nc1nc2ccccc2c(=O)n1CCOCCOCCn1c(Nc2ccc(cc2)F)nc2c(c1=O)cccc2
• Title of publication: 2,2'-Bis(4-fluoroanilino)-3,3'-(3,6-dioxaoctane-1,8-diyl)diquinazolin-4(3<i>H</i>)-one
• Authors of publication: Wang, Xiang; Ma, Zuan; Chen, Yu-Lu
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2009
• Journal volume: 65
• Journal issue: 1
• Pages of publication: o53
• a: 13.923 ± 0.003 Å
• b: 12.509 ± 0.003 Å
• c: 18.726 ± 0.004 Å
• α: 90°
• β: 97.08 ± 0.03°
• γ: 90°
• Cell volume: 3236.5 ± 1.3 ų
• Cell temperature: 295 ± 2 K
• Ambient diffraction temperature: 295 ± 2 K
• Number of distinct elements: 5
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0575
• Residual factor for significantly intense reflections: 0.0481
• Weighted residual factors for significantly intense reflections: 0.1366
• Weighted residual factors for all reflections included in the refinement: 0.1455
• Goodness-of-fit parameter for all reflections included in the refinement: 1.064
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes