Information card for entry 2219864

Structure parameters

• Common name: 5,5-Bis(4-methoxyphenyl)-2,8-bis[3-(trifluoromethyl)phenyl]-5<i>H-</i> cyclopenta[2,1<i>-b</i>:3,4<i>-b</i>']dipyridine
• Chemical name: 9,9-Bis(4-methoxyphenyl)-3,6-bis[3-(trifluoromethyl)phenyl]-9<i>H-</i>-\ 4,5-diazafluorene
• Formula: C39 H26 F6 N2 O2
• Calculated formula: C39 H26 F6 N2 O2
• SMILES: COc1ccc(cc1)C1(c2ccc(cc2)OC)c2ccc(nc2c2c1ccc(n2)c1cccc(c1)C(F)(F)F)c1cccc(c1)C(F)(F)F
• Title of publication: 5,5-Bis(4-methoxyphenyl)-2,8-bis[3-(trifluoromethyl)phenyl]-5<i>H</i>-cyclopenta[2,1<i>-b</i>:3,4<i>-b</i>']dipyridine
• Authors of publication: Ono, Katsuhiko; Tomura, Masaaki; Saito, Katsuhiro
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2008
• Journal volume: 64
• Journal issue: 11
• Pages of publication: o2183
• a: 9.283 ± 0.002 Å
• b: 12.357 ± 0.003 Å
• c: 26.941 ± 0.006 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3090.4 ± 1.2 ų
• Cell temperature: 173 ± 1 K
• Ambient diffraction temperature: 173 ± 1 K
• Number of distinct elements: 5
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0609
• Residual factor for significantly intense reflections: 0.0561
• Weighted residual factors for significantly intense reflections: 0.1421
• Weighted residual factors for all reflections included in the refinement: 0.1463
• Goodness-of-fit parameter for all reflections included in the refinement: 1.046
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: Yes