Information card for entry 2239388

Structure parameters

• Chemical name: <i>r</i>-1,<i>t</i>-3-Bis[4-(dimethylamino)phenyl]-<i>c</i>-2,<i>t</i>-4-bis(pyridin-4-yl)cyclobutane
• Formula: C30 H32 N4
• Calculated formula: C30 H32 N4
• SMILES: CN(c1ccc(cc1)[C@@H]1[C@@H](c2ccncc2)[C@@H]([C@H]1c1ccncc1)c1ccc(cc1)N(C)C)C
• Title of publication: <i>r</i>-1,<i>t</i>-3-Bis[4-(dimethylamino)phenyl]-<i>c</i>-2,<i>t</i>-4-bis(pyridin-4-yl)cyclobutane
• Authors of publication: Zhang, Shuguang; Zhuang, Junpeng
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2014
• Journal volume: 70
• Journal issue: 3
• Pages of publication: o311
• a: 23.166 ± 0.005 Å
• b: 11.003 ± 0.002 Å
• c: 9.633 ± 0.0019 Å
• α: 90°
• β: 91.67 ± 0.03°
• γ: 90°
• Cell volume: 2454.4 ± 0.8 ų
• Cell temperature: 113 ± 2 K
• Ambient diffraction temperature: 113 ± 2 K
• Number of distinct elements: 3
• 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: 0.0565
• Residual factor for significantly intense reflections: 0.045
• Weighted residual factors for significantly intense reflections: 0.1133
• Weighted residual factors for all reflections included in the refinement: 0.1209
• Goodness-of-fit parameter for all reflections included in the refinement: 1.092
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes