Information card for entry 2220667

Structure parameters

• Common name: <i>N,N</i>-Bis(3-methoxy-2-hydroxybenzylidene)-2,2-dimethyl propane-1,3-diamine
• Chemical name: 6,6'-Dimethoxy-2,2'-[2,2-dimethylpropane-1,3- diylbis(nitrilomethylidyne)]diphenol
• Formula: C21 H26 N2 O4
• Calculated formula: C21 H26 N2 O4
• SMILES: COc1cccc(c1O)/C=N/CC(C/N=C/c1cccc(c1O)OC)(C)C
• Title of publication: 6,6'-Dimethoxy-2,2'-[2,2-dimethylpropane-1,3-diylbis(nitrilomethylidyne)]diphenol
• Authors of publication: Yeap, Chin Sing; Kargar, Hadi; Kia, Reza; Fun, Hoong-Kun
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2009
• Journal volume: 65
• Journal issue: 1
• Pages of publication: o20 - o21
• a: 6.8859 ± 0.0003 Å
• b: 30.809 ± 0.0014 Å
• c: 18.8611 ± 0.0009 Å
• α: 90°
• β: 96.102 ± 0.003°
• γ: 90°
• Cell volume: 3978.7 ± 0.3 ų
• Cell temperature: 100 ± 0.1 K
• Ambient diffraction temperature: 100 ± 0.1 K
• Number of distinct elements: 4
• Space group number: 9
• Hermann-Mauguin space group symbol: C 1 c 1
• Hall space group symbol: C -2yc
• Residual factor for all reflections: 0.0767
• Residual factor for significantly intense reflections: 0.0704
• Weighted residual factors for significantly intense reflections: 0.1972
• Weighted residual factors for all reflections included in the refinement: 0.2018
• Goodness-of-fit parameter for all reflections included in the refinement: 1.069
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes