Information card for entry 2230657

Structure parameters

• Chemical name: 6,6'-dimethoxy-2,2'-[hexane-1,6-diylbis(nitrilodimethylidyne)]diphenol‒ 6,6'-dimethoxy-2,2'-[hexane-1,6-diylbis(nitriliodimethylidyne)]diphenolate (1/1)
• Formula: C22 H28 N2 O4
• Calculated formula: C22 H28 N2 O4
• Title of publication: Redetermination of 6,6'-dimethoxy-2,2'-[hexane-1,6-diylbis(nitrilodimethylidyne)]diphenol
• Authors of publication: Tabatabaee, M.; Fotuhiardakani, M. R.; Lough, Alan J.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2011
• Journal volume: 67
• Journal issue: 7
• Pages of publication: o1579 - o1580
• a: 21.266 ± 0.0004 Å
• b: 8.4296 ± 0.0003 Å
• c: 11.1215 ± 0.0009 Å
• α: 90°
• β: 92.344 ± 0.0017°
• γ: 90°
• Cell volume: 1992.02 ± 0.18 ų
• Cell temperature: 150 ± 1 K
• Ambient diffraction temperature: 150 ± 1 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.1271
• Residual factor for significantly intense reflections: 0.0747
• Weighted residual factors for significantly intense reflections: 0.1996
• Weighted residual factors for all reflections included in the refinement: 0.2467
• Goodness-of-fit parameter for all reflections included in the refinement: 1.051
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: Yes