Information card for entry 2233522

Structure parameters

• Chemical name: 1,4-Dibutoxy-2,5-bis{(<i>Z</i>)-2-[4-(9<i>H</i>-carbazol- 9-yl)phenyl]ethenyl}benzene
• Formula: C54 H48 N2 O2
• Calculated formula: C54 H48 N2 O2
• SMILES: CCCCOc1cc(/C=C\c2ccc(cc2)n2c3ccccc3c3c2cccc3)c(cc1/C=C\c1ccc(cc1)n1c2ccccc2c2c1cccc2)OCCCC
• Title of publication: 1,4-Dibutoxy-2,5-bis{(<i>Z</i>)-2-[4-(9<i>H</i>-carbazol-9-yl)phenyl]ethenyl}benzene
• Authors of publication: Fei, Wen-Wen; Li, Rui; Wang, Zhen-Yu; Wu, Jie-Ying
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2012
• Journal volume: 68
• Journal issue: 2
• Pages of publication: o321
• a: 8.437 ± 0.005 Å
• b: 13.229 ± 0.005 Å
• c: 19.165 ± 0.005 Å
• α: 90°
• β: 98.683 ± 0.005°
• γ: 90°
• Cell volume: 2114.5 ± 1.6 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.0637
• Residual factor for significantly intense reflections: 0.0516
• Weighted residual factors for significantly intense reflections: 0.1394
• Weighted residual factors for all reflections included in the refinement: 0.153
• Goodness-of-fit parameter for all reflections included in the refinement: 1.029
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: Yes