Information card for entry 2216591

Structure parameters

• Chemical name: 9,9-Bis(4-methoxyphenyl)-9<i>H</i>-cyclopenta[2,1-<i>b</i>:3,4- <i>b</i>']dipyridine
• Formula: C25 H20 N2 O2
• Calculated formula: C25 H20 N2 O2
• SMILES: COc1ccc(cc1)C1(c2ccc(cc2)OC)c2cccnc2c2c1cccn2
• Title of publication: 9,9-Bis(4-methoxyphenyl)-9<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: 2007
• Journal volume: 63
• Journal issue: 12
• Pages of publication: o4612 - o4612
• a: 11.607 ± 0.003 Å
• b: 11.607 ± 0.003 Å
• c: 14.101 ± 0.004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1899.7 ± 0.9 ų
• Cell temperature: 296 ± 1 K
• Ambient diffraction temperature: 296 ± 1 K
• Number of distinct elements: 4
• Space group number: 92
• Hermann-Mauguin space group symbol: P 41 21 2
• Hall space group symbol: P 4abw 2nw
• Residual factor for all reflections: 0.0974
• Residual factor for significantly intense reflections: 0.091
• Weighted residual factors for significantly intense reflections: 0.1451
• Weighted residual factors for all reflections included in the refinement: 0.1469
• Goodness-of-fit parameter for all reflections included in the refinement: 1.439
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes