Information card for entry 2219229

Structure parameters

• Chemical name: 4,4',5,5'-Tetramethyl-2,2'-[1,1'-(propane-1,3-diyldinitrilo)diethylidyne]diphenol
• Formula: C23 H30 N2 O2
• Calculated formula: C23 H30 N2 O2
• SMILES: CC(=N\CCC/N=C(/c1cc(C)c(cc1O)C)C)/c1cc(C)c(cc1O)C
• Title of publication: 4,4',5,5'-Tetramethyl-2,2'-[1,1'-(propane-1,3-diyldinitrilo)diethylidyne]diphenol
• Authors of publication: Yeap, Chin Sing; Kia, Reza; Fun, Hoong-Kun
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2008
• Journal volume: 64
• Journal issue: 9
• Pages of publication: o1854
• a: 28.6398 ± 0.0012 Å
• b: 5.1264 ± 0.0002 Å
• c: 13.3856 ± 0.0005 Å
• α: 90°
• β: 102.09 ± 0.005°
• γ: 90°
• Cell volume: 1921.67 ± 0.14 ų
• Cell temperature: 100 ± 0.1 K
• Ambient diffraction temperature: 100 ± 0.1 K
• Number of distinct elements: 4
• 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: 0.0893
• Residual factor for significantly intense reflections: 0.061
• Weighted residual factors for significantly intense reflections: 0.1498
• Weighted residual factors for all reflections included in the refinement: 0.1631
• Goodness-of-fit parameter for all reflections included in the refinement: 1.091
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes