Information card for entry 8102871

Structure parameters

• Chemical name: N,N'-Bis(3-ethoxy-2-hydroxybenzylidene)propane-1,3-diamine
• Formula: C21 H26 N2 O4
• Calculated formula: C21 H26 N2 O4
• SMILES: Oc1c(cccc1OCC)/C=N/CCC/N=C/c1c(O)c(OCC)ccc1
• Title of publication: Crystal structure of N,N'-bis(3-ethoxy-2-hydroxybenzylidene)propane-1,3-diamine, C21H26N2O4
• Authors of publication: Kwang Ha
• Journal of publication: Zeitschrift für Kristallographie - New Crystal Structures
• Year of publication: 2010
• Journal volume: 225
• Journal issue: 4
• Pages of publication: 737
• a: 7.01 ± 0.0012 Å
• b: 7.949 ± 0.0013 Å
• c: 18.28 ± 0.003 Å
• α: 93.363 ± 0.004°
• β: 91.696 ± 0.004°
• γ: 98.099 ± 0.004°
• Cell volume: 1006 ± 0.3 ų
• Cell temperature: 200 ± 2 K
• Ambient diffraction temperature: 200 ± 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: 0.1507
• Residual factor for significantly intense reflections: 0.0625
• Weighted residual factors for significantly intense reflections: 0.1165
• Weighted residual factors for all reflections included in the refinement: 0.1672
• Goodness-of-fit parameter for all reflections included in the refinement: 1.035
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No