Information card for entry 2234388

Structure parameters

• Chemical name: 6,6'-Dimethoxy-2,2'-[(<i>E</i>,<i>E</i>')-(2,4,6-trimethyl-1,3- phenylene)bis(nitrilomethanylylidene)]diphenol chloroform monosolvate
• Formula: C26 H27 Cl3 N2 O4
• Calculated formula: C26 H27 Cl3 N2 O4
• SMILES: ClC(Cl)Cl.Oc1c(/C=N/c2c(cc(c(/N=C/c3cccc(OC)c3O)c2C)C)C)cccc1OC
• Title of publication: 6,6'-Dimethoxy-2,2'-[(<i>E</i>,<i>E</i>')-(2,4,6-trimethyl-1,3-phenylene)bis(nitrilomethanylylidene)]diphenol chloroform monosolvate
• Authors of publication: Bahron, Hadariah; Bakar, Najihah Abu; Yamin, Bohari M.; Yusof, M. Sukeri M.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2012
• Journal volume: 68
• Journal issue: 4
• Pages of publication: o1176
• a: 10.162 ± 0.002 Å
• b: 10.486 ± 0.002 Å
• c: 12.64 ± 0.003 Å
• α: 99.315 ± 0.004°
• β: 93.14 ± 0.004°
• γ: 90.196 ± 0.004°
• Cell volume: 1327 ± 0.5 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 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: 0.0652
• Residual factor for significantly intense reflections: 0.0507
• Weighted residual factors for significantly intense reflections: 0.1357
• Weighted residual factors for all reflections included in the refinement: 0.1497
• Goodness-of-fit parameter for all reflections included in the refinement: 1.041
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes