Information card for entry 2207052

Structure parameters

• Chemical name: 3,5,3',5'-Tetramethyl-N,N'-bis(salicylidene)biphenyl-4,4'-diamine
• Formula: C30 H28 N2 O2
• Calculated formula: C30 H28 N2 O2
• SMILES: c1(ccccc1/C=N/c1c(cc(cc1C)c1cc(c(c(c1)C)/N=C/c1ccccc1O)C)C)O
• Title of publication: 3,5,3',5'-Tetramethyl-<i>N</i>,<i>N</i>'-bis(salicylidene)biphenyl-4,4'-diamine
• Authors of publication: Xu, Li; Kim, Youngmee; Kim, Sung-Jin
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2005
• Journal volume: 61
• Journal issue: 10
• Pages of publication: o3344 - o3345
• a: 10.693 ± 0.005 Å
• b: 12.896 ± 0.006 Å
• c: 17.673 ± 0.008 Å
• α: 90°
• β: 90.871 ± 0.009°
• γ: 90°
• Cell volume: 2436.8 ± 1.9 ų
• Cell temperature: 273 ± 2 K
• Ambient diffraction temperature: 273 ± 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: 0.1702
• Residual factor for significantly intense reflections: 0.0643
• Weighted residual factors for significantly intense reflections: 0.1323
• Weighted residual factors for all reflections included in the refinement: 0.1734
• Goodness-of-fit parameter for all reflections included in the refinement: 0.928
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes