Information card for entry 8106368

Structure parameters

• Formula: C20 H24 N2 O6
• Calculated formula: C20 H24 N2 O6
• SMILES: COc1cc(c(cc1)C(=N\OCCO/N=C(C)/c1c(cc(cc1)OC)O)\C)O
• Title of publication: Crystal structure of 5,5′-dimethoxy-2,2′-[1,1′-(ethylenedioxydinitrilo)diethylidyne]diphenol, C20H24N2O6
• Authors of publication: Ren, Zong-Li; Wang, Lan; Liu, Ling-Zhi; Li, Xiang-Qian; Dong, Wen-Kui
• Journal of publication: Zeitschrift für Kristallographie - New Crystal Structures
• Year of publication: 2018
• Journal volume: 233
• Journal issue: 6
• Pages of publication: 975 - 977
• a: 7.1389 ± 0.0005 Å
• b: 9.4977 ± 0.0007 Å
• c: 14.6456 ± 0.001 Å
• α: 105.118 ± 0.003°
• β: 101.188 ± 0.002°
• γ: 94.739 ± 0.003°
• Cell volume: 931.08 ± 0.12 ų
• Cell temperature: 153 ± 2 K
• Ambient diffraction temperature: 153 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0758
• Residual factor for significantly intense reflections: 0.0564
• Weighted residual factors for significantly intense reflections: 0.1505
• Weighted residual factors for all reflections included in the refinement: 0.1646
• Goodness-of-fit parameter for all reflections included in the refinement: 1.045
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No