Information card for entry 2220400

Structure parameters

• Chemical name: 3,3'-Bis(4-chlorophenyl)-2,2'-(<i>m</i>-phenylenedioxy)diquinazolin- 4(3<i>H</i>)-one
• Formula: C34 H20 Cl2 N4 O4
• Calculated formula: C34 H20 Cl2 N4 O4
• SMILES: c1(ccc(cc1)n1c(=O)c2ccccc2nc1Oc1cccc(c1)Oc1nc2ccccc2c(=O)n1c1ccc(cc1)Cl)Cl
• Title of publication: 3,3'-Bis(4-chlorophenyl)-2,2'-(<i>m</i>-phenylenedioxy)diquinazolin-4(3<i>H</i>)-one
• Authors of publication: Yang, Hai-Zhou; Gao, Hai-Tao; Yang, Xu-Hong
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2009
• Journal volume: 65
• Journal issue: 1
• Pages of publication: o59 - o60
• a: 28.043 ± 0.002 Å
• b: 11.3563 ± 0.0008 Å
• c: 21.5497 ± 0.0016 Å
• α: 90°
• β: 122.744 ± 0.001°
• γ: 90°
• Cell volume: 5772.3 ± 0.7 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 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: 0.1343
• Residual factor for significantly intense reflections: 0.0658
• Weighted residual factors for significantly intense reflections: 0.1373
• Weighted residual factors for all reflections included in the refinement: 0.1595
• Goodness-of-fit parameter for all reflections included in the refinement: 1.009
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes