Information card for entry 2231389

Structure parameters

• Chemical name: <i>N</i>,<i>N</i>'-Bis[(<i>E</i>)-2,4,6-trimethylbenzylidene]ethane-1,2-diamine
• Formula: C22 H28 N2
• Calculated formula: C22 H28 N2
• SMILES: Cc1cc(C)cc(c1/C=N/CC/N=C/c1c(C)cc(cc1C)C)C
• Title of publication: <i>N</i>,<i>N</i>'-Bis[(<i>E</i>)-2,4,6-trimethylbenzylidene]ethane-1,2-diamine
• Authors of publication: Yumata, Nonzaliseko; Gerber, Thomas; Hosten, Eric; Betz, Richard
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2011
• Journal volume: 67
• Journal issue: 8
• Pages of publication: o2175
• a: 11.1346 ± 0.0005 Å
• b: 5.2082 ± 0.0002 Å
• c: 15.9958 ± 0.0007 Å
• α: 90°
• β: 93.154 ± 0.002°
• γ: 90°
• Cell volume: 926.21 ± 0.07 ų
• Cell temperature: 200 ± 2 K
• Ambient diffraction temperature: 200 ± 2 K
• Number of distinct elements: 3
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.1138
• Residual factor for significantly intense reflections: 0.0473
• Weighted residual factors for significantly intense reflections: 0.0976
• Weighted residual factors for all reflections included in the refinement: 0.1127
• Goodness-of-fit parameter for all reflections included in the refinement: 0.892
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes