Information card for entry 2212736

Structure parameters

• Chemical name: r-1,c-2,t-3,t-4-1,3-bis(N,N-dimethyl-4-benzenamino)-2,4-bis-(2-benzooxzolyl)cyclobutane
• Formula: C34 H32 N4 O2
• Calculated formula: C34 H32 N4 O2
• SMILES: CN(c1ccc(cc1)[C@@H]1[C@H](c2nc3c(o2)cccc3)[C@H]([C@H]1c1nc2c(o1)cccc2)c1ccc(cc1)N(C)C)C
• Title of publication: <i>c</i>-2,<i>t</i>-4-Bis(2-benzoxazol-2-yl)-<i>r</i>-1,<i>t</i>-3-bis[4-(dimethylamino)phenyl]cyclobutane
• Authors of publication: Li, Feng-Yu; Wang, Shu-Tao; Zhuang, Jun-Peng; Jiang, Lei; Song, Yan-Lin
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2007
• Journal volume: 63
• Journal issue: 3
• Pages of publication: o1171 - o1172
• a: 24.441 ± 0.005 Å
• b: 6.0694 ± 0.0012 Å
• c: 20.101 ± 0.004 Å
• α: 90°
• β: 108.46 ± 0.03°
• γ: 90°
• Cell volume: 2828.4 ± 1.1 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• 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: 0.101
• Residual factor for significantly intense reflections: 0.0641
• Weighted residual factors for significantly intense reflections: 0.1919
• Weighted residual factors for all reflections included in the refinement: 0.2179
• 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: Yes