Information card for entry 2222186

Structure parameters

• Chemical name: 1,1',2,2'-Tetramethyl-3,3'-(4-methoxybenzylidene)di-1<i>H</i>-indole
• Formula: C28 H28 N2 O
• Calculated formula: C28 H28 N2 O
• SMILES: n1(c2c(c(C(c3ccc(OC)cc3)c3c4ccccc4n(c3C)C)c1C)cccc2)C
• Title of publication: 1,1',2,2'-Tetramethyl-3,3'-(4-methoxybenzylidene)di-1<i>H</i>-indole
• Authors of publication: Zhang, Cai-Li; Ye, Ping-Ping; Du, Zhi-Qiang
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2009
• Journal volume: 65
• Journal issue: 6
• Pages of publication: o1332
• a: 10.6647 ± 0.0008 Å
• b: 13.2088 ± 0.001 Å
• c: 16.1494 ± 0.0013 Å
• α: 90°
• β: 97.174 ± 0.001°
• γ: 90°
• Cell volume: 2257.1 ± 0.3 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0532
• Residual factor for significantly intense reflections: 0.0441
• Weighted residual factors for significantly intense reflections: 0.1303
• Weighted residual factors for all reflections included in the refinement: 0.1391
• Goodness-of-fit parameter for all reflections included in the refinement: 0.833
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes