Information card for entry 2221301

Structure parameters

• Chemical name: 1,1'-[2,3,5,6-Tetramethyl-<i>p</i>-phenylenebis(methyleneoxy)]di-1<i>H</i>-benzotriazole
• Formula: C24 H24 N6 O2
• Calculated formula: C24 H24 N6 O2
• SMILES: Cc1c(C)c(COn2nnc3c2cccc3)c(c(c1COn1nnc2c1cccc2)C)C
• Title of publication: 1,1'-[2,3,5,6-Tetramethyl-<i>p</i>-phenylenebis(methyleneoxy)]di-1<i>H</i>-benzotriazole
• Authors of publication: Ravindran Durai Nayagam, B.; Jebas, Samuel Robinson; Daisy, Caroline; Schollmeyer, Dieter
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2009
• Journal volume: 65
• Journal issue: 4
• Pages of publication: o918
• a: 9.3895 ± 0.0006 Å
• b: 7.596 ± 0.0002 Å
• c: 15.7471 ± 0.0013 Å
• α: 90°
• β: 110.77 ± 0.003°
• γ: 90°
• Cell volume: 1050.13 ± 0.11 ų
• Cell temperature: 193 ± 2 K
• Ambient diffraction temperature: 193 ± 2 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0533
• Residual factor for significantly intense reflections: 0.0519
• Weighted residual factors for significantly intense reflections: 0.145
• Weighted residual factors for all reflections included in the refinement: 0.1465
• Goodness-of-fit parameter for all reflections included in the refinement: 1.101
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes