Information card for entry 2213809

Structure parameters

• Chemical name: 1,2-Bis[(2-hydroxy-3-methoxyphenyl)methylamino]benzene
• Formula: C22 H24 N2 O4
• Calculated formula: C22 H24 N2 O4
• SMILES: O(c1c(O)c(ccc1)CNc1ccccc1NCc1cccc(OC)c1O)C
• Title of publication: 1,2-Bis[(2-hydroxy-3-methoxyphenyl)methylamino]benzene
• Authors of publication: Chen, Yi-Feng; Ng, Seik Weng
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2007
• Journal volume: 63
• Journal issue: 6
• Pages of publication: o2988 - o2988
• a: 10.4665 ± 0.0007 Å
• b: 15.778 ± 0.001 Å
• c: 23.439 ± 0.002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3870.7 ± 0.5 ų
• Cell temperature: 295 ± 2 K
• Ambient diffraction temperature: 295 ± 2 K
• Number of distinct elements: 4
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.109
• Residual factor for significantly intense reflections: 0.045
• Weighted residual factors for significantly intense reflections: 0.102
• Weighted residual factors for all reflections included in the refinement: 0.132
• Goodness-of-fit parameter for all reflections included in the refinement: 0.99
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes