Information card for entry 8102855

Structure parameters

• Chemical name: Tris(2-((3-ethoxysalicylidene)amino)ethyl)amine
• Formula: C33 H42 N4 O6
• Calculated formula: C33 H42 N4 O6
• SMILES: Oc1c(cccc1OCC)/C=N/CCN(CC/N=C/c1c(O)c(OCC)ccc1)CC/N=C/c1c(O)c(OCC)ccc1
• Title of publication: Crystal structure of tris(2-((3-ethoxysalicylidene)amino)ethyl)amine, C33H42N4O6
• 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: 697
• a: 15.5746 ± 0.0012 Å
• b: 11.9097 ± 0.0009 Å
• c: 17.4485 ± 0.0013 Å
• α: 90°
• β: 94.692 ± 0.002°
• γ: 90°
• Cell volume: 3225.7 ± 0.4 ų
• Cell temperature: 200 ± 2 K
• Ambient diffraction temperature: 200 ± 2 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.1316
• Residual factor for significantly intense reflections: 0.0553
• Weighted residual factors for significantly intense reflections: 0.1165
• Weighted residual factors for all reflections included in the refinement: 0.1548
• Goodness-of-fit parameter for all reflections included in the refinement: 0.982
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No