Information card for entry 2220119

Structure parameters

• Common name: <i>N,N'</i>-Bis(4-methoxy-2-hydroxybenzylidene)-2,2-dimethyl- propane-1,3-diamine
• Chemical name: 5,5'-Dimethoxy-2,2'-[2,2-dimethylpropane-1,3- diylbis(nitrilomethylidyne)]diphenol
• Formula: C21 H26 N2 O4
• Calculated formula: C21 H26 N2 O4
• SMILES: Oc1cc(OC)ccc1/C=N/CC(C/N=C/c1ccc(OC)cc1O)(C)C
• Title of publication: 5,5'-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: 2008
• Journal volume: 64
• Journal issue: 12
• Pages of publication: o2389 - o2390
• a: 10.294 ± 0.0002 Å
• b: 11.8173 ± 0.0002 Å
• c: 31.5327 ± 0.0005 Å
• α: 90°
• β: 93.373 ± 0.001°
• γ: 90°
• Cell volume: 3829.22 ± 0.12 ų
• Cell temperature: 100 ± 0.1 K
• Ambient diffraction temperature: 100 ± 0.1 K
• Number of distinct elements: 4
• Space group number: 7
• Hermann-Mauguin space group symbol: P 1 n 1
• Hall space group symbol: P -2yac
• Residual factor for all reflections: 0.0975
• Residual factor for significantly intense reflections: 0.0632
• Weighted residual factors for significantly intense reflections: 0.1177
• Weighted residual factors for all reflections included in the refinement: 0.1356
• Goodness-of-fit parameter for all reflections included in the refinement: 1.022
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes