Information card for entry 2218425

Structure parameters

• Chemical name: 4-{[1-(4-Ethoxyphenyl)-5-methyl-1<i>H</i>-1,2,3-triazol-4- yl]diphenylmethyl}morpholine
• Formula: C28 H30 N4 O2
• Calculated formula: C28 H30 N4 O2
• SMILES: O(c1ccc(n2nnc(c2C)C(N2CCOCC2)(c2ccccc2)c2ccccc2)cc1)CC
• Title of publication: 4-{[1-(4-Ethoxyphenyl)-5-methyl-1<i>H</i>-1,2,3-triazol-4-yl]diphenylmethyl}morpholine
• Authors of publication: Wu, Jian-Guo; Dong, Hong-Ru; Dong, Heng-Shan; Ng, Seik Weng
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2008
• Journal volume: 64
• Journal issue: 6
• Pages of publication: o1067
• a: 9.406 ± 0.001 Å
• b: 10.125 ± 0.001 Å
• c: 13.67 ± 0.002 Å
• α: 81.408 ± 0.001°
• β: 73.621 ± 0.001°
• γ: 81.547 ± 0.001°
• Cell volume: 1227.5 ± 0.3 ų
• Cell temperature: 294 ± 2 K
• Ambient diffraction temperature: 295 ± 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: 0.0777
• Residual factor for significantly intense reflections: 0.046
• Weighted residual factors for significantly intense reflections: 0.1069
• Weighted residual factors for all reflections included in the refinement: 0.1262
• Goodness-of-fit parameter for all reflections included in the refinement: 0.993
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes