Information card for entry 2222300

Structure parameters

• Chemical name: 2,2'-[(<i>E</i>,<i>E</i>)-1,1'-(2,2-Dimethylpropane-1,3- diyldinitrilo)diethylidyne]diphenol
• Formula: C21 H26 N2 O2
• Calculated formula: C21 H26 N2 O2
• SMILES: Oc1ccccc1/C(=N/CC(C)(C)C/N=C(\C)c1ccccc1O)C
• Title of publication: 2,2'-[(<i>E</i>,<i>E</i>)-1,1'-(2,2-Dimethylpropane-1,3-diyldinitrilo)diethylidyne]diphenol
• Authors of publication: Montazerozohori, Morteza; Habibi, Mohammad Hossein; Hojjati, Ahmad; Mokhtari, Reza; Yamane, Yuki; Suzuki, Takayoshi
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2009
• Journal volume: 65
• Journal issue: 7
• Pages of publication: o1662 - o1663
• a: 7.7847 ± 0.0009 Å
• b: 9.1857 ± 0.0012 Å
• c: 13.3801 ± 0.0014 Å
• α: 79.547 ± 0.004°
• β: 77.508 ± 0.003°
• γ: 85.537 ± 0.004°
• Cell volume: 917.89 ± 0.19 ų
• Cell temperature: 193 ± 2 K
• Ambient diffraction temperature: 193 ± 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: 0.0576
• Residual factor for significantly intense reflections: 0.0428
• Weighted residual factors for significantly intense reflections: 0.1263
• Weighted residual factors for all reflections included in the refinement: 0.135
• Goodness-of-fit parameter for all reflections included in the refinement: 1.046
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes