Information card for entry 2209564

Structure parameters

• Chemical name: [(E)-3-sec-Butyl-4-(4'-Ethoxy-3,5-diethylbiphenyl-4- yldiazenyl)phenoxy]hexadecane
• Formula: C44 H66 N2 O2
• Calculated formula: C44 H66 N2 O2
• SMILES: CCCCCCCCCCCCCCCCOc1ccc(cc1C(CC)C)/N=N/c1c(CC)cc(cc1CC)c1ccc(cc1)OCC
• Title of publication: 1-[(<i>E</i>)-3-<i>sec</i>-Butyl-4-(4'-ethoxy-3,5-diethylbiphenyl-4-yldiazenyl)phenoxy]hexadecane
• Authors of publication: Han, Mina R.; Hashizume, Daisuke; Hara, Masahiko
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2006
• Journal volume: 62
• Journal issue: 7
• Pages of publication: o3001 - o3003
• a: 22.0464 ± 0.0003 Å
• b: 9.9446 ± 0.0001 Å
• c: 18.8628 ± 0.0003 Å
• α: 90°
• β: 104.37 ± 0.0005°
• γ: 90°
• Cell volume: 4006.14 ± 0.09 ų
• Cell temperature: 90 K
• Ambient diffraction temperature: 90 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: 0.0653
• Residual factor for significantly intense reflections: 0.0469
• Weighted residual factors for significantly intense reflections: 0.1154
• Weighted residual factors for all reflections included in the refinement: 0.1276
• Goodness-of-fit parameter for all reflections included in the refinement: 1.026
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: Yes