Information card for entry 2219737

Structure parameters

• Chemical name: 1,3,5-Tris{[3-(1H-benzotriazol-1-ylmethyl)phenoxy]methyl}- 2,4,6-trimethylbenzene
• Formula: C51 H45 N9 O3
• Calculated formula: C51 H45 N9 O3
• Title of publication: 1,3,5-Tris{[3-(1<i>H</i>-benzotriazol-1-ylmethyl)phenoxy]methyl}-2,4,6-trimethylbenzene
• Authors of publication: Xu, Chen; Si, Wan-Ling; Wang, Zhi-Qiang; Ma, Hong-Ji; Ji, Bao-Ming
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2008
• Journal volume: 64
• Journal issue: 10
• Pages of publication: o1936 - o1937
• a: 11.945 ± 0.003 Å
• b: 13.524 ± 0.003 Å
• c: 13.55 ± 0.003 Å
• α: 83.913 ± 0.004°
• β: 80.629 ± 0.004°
• γ: 84.766 ± 0.004°
• Cell volume: 2141.4 ± 0.9 ų
• Cell temperature: 295 ± 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: 0.1414
• Residual factor for significantly intense reflections: 0.0574
• Weighted residual factors for significantly intense reflections: 0.1413
• Weighted residual factors for all reflections included in the refinement: 0.1862
• Goodness-of-fit parameter for all reflections included in the refinement: 1.009
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: Yes