Information card for entry 2229491

Structure parameters

• Chemical name: 2-(9,9-Diethyl-9<i>H</i>-fluoren-2-yl)-1-benzofuran
• Formula: C25 H22 O
• Calculated formula: C25 H22 O
• SMILES: o1c(c2ccc3c(C(c4ccccc34)(CC)CC)c2)cc2ccccc12
• Title of publication: 2-(9,9-Diethyl-9<i>H</i>-fluoren-2-yl)-1-benzofuran
• Authors of publication: Huang, Ping-Hsin; Lin, Kai-Ling; Wen, Yuh-Sheng
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2011
• Journal volume: 67
• Journal issue: 3
• Pages of publication: o743
• a: 7.5277 ± 0.0013 Å
• b: 12.9969 ± 0.0019 Å
• c: 18.438 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1803.9 ± 0.5 ų
• Cell temperature: 100 ± 0.1 K
• Ambient diffraction temperature: 100 ± 0.1 K
• Number of distinct elements: 3
• 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: 0.0913
• Residual factor for significantly intense reflections: 0.0575
• Weighted residual factors for significantly intense reflections: 0.1234
• Weighted residual factors for all reflections included in the refinement: 0.146
• Goodness-of-fit parameter for all reflections included in the refinement: 1.027
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes