Information card for entry 2230316

Structure parameters

• Chemical name: <i>N</i>,<i>N</i>'-Bis(4-chlorobenzylidene)-3,3'-dimethoxybiphenyl-4,4'- diamine
• Formula: C28 H22 Cl2 N2 O2
• Calculated formula: C28 H22 Cl2 N2 O2
• SMILES: COc1cc(ccc1/N=C/c1ccc(cc1)Cl)c1ccc(c(c1)OC)/N=C/c1ccc(cc1)Cl
• Title of publication: <i>N</i>,<i>N</i>'-Bis(4-chlorobenzylidene)-3,3'-dimethoxybiphenyl-4,4'-diamine
• Authors of publication: Subashini, Ashokkumar; Ramamurthi, Kandasamy; Stoeckli-Evans, Helen
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2011
• Journal volume: 67
• Journal issue: 6
• Pages of publication: o1296 - o1297
• a: 9.2358 ± 0.0005 Å
• b: 11.8559 ± 0.0006 Å
• c: 23.5218 ± 0.0012 Å
• α: 75.81 ± 0.004°
• β: 80.326 ± 0.004°
• γ: 79.288 ± 0.004°
• Cell volume: 2433.1 ± 0.2 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1021
• Residual factor for significantly intense reflections: 0.0531
• Weighted residual factors for significantly intense reflections: 0.1102
• Weighted residual factors for all reflections included in the refinement: 0.1254
• Goodness-of-fit parameter for all reflections included in the refinement: 0.98
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes