Information card for entry 2200605

Structure parameters

• Chemical name: r-1,c-2,t-3,t-4-1,3-bis(4-methoxyphenyl)-2,4-bis[2-(5-phenyl-1,3,4- oxadiazolyl)]cyclobutane
• Formula: C38 H36 N4 O6
• Calculated formula: C38 H36 N4 O6
• SMILES: C1COCCO1.COc1ccc(cc1)[C@@H]1[C@H](c2nnc(o2)c2ccccc2)[C@H]([C@H]1c1nnc(o1)c1ccccc1)c1ccc(cc1)OC
• Title of publication: <i>r</i>-1,<i>c</i>-2,<i>t</i>-3,<i>t</i>-4-1,3-Bis(4-methoxyphenyl)-2,4-bis(5-phenyl-1,3,4-oxadiazol-2-yl)cyclobutane 1,4-dioxane solvate
• Authors of publication: Yan, Zheng; Jun-Peng, Zhuang; Wen-Qin, Zhang; Xue-Bing, Leng; Lin-Hong, Weng
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2001
• Journal volume: 57
• Journal issue: 11
• Pages of publication: o1029 - o1031
• a: 5.995 ± 0.002 Å
• b: 10.242 ± 0.004 Å
• c: 14.292 ± 0.005 Å
• α: 93.37 ± 0.006°
• β: 90.595 ± 0.006°
• γ: 103.557 ± 0.006°
• Cell volume: 851.4 ± 0.5 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 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: 0.1523
• Residual factor for significantly intense reflections: 0.0678
• Weighted residual factors for all reflections included in the refinement: 0.1674
• Goodness-of-fit parameter for all reflections included in the refinement: 0.968
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No