Information card for entry 2210816

Structure parameters

• Chemical name: 5,5'-Dimethoxy-3,3'-(3-fluorophenylmethanediyl)bis(1H-indole)
• Formula: C25 H21 F N2 O2
• Calculated formula: C25 H21 F N2 O2
• SMILES: Fc1cccc(C(c2c[nH]c3ccc(OC)cc23)c2c[nH]c3ccc(OC)cc23)c1
• Title of publication: 5,5'-Dimethoxy-3,3'-(3-fluorophenylmethanediyl)bis(1<i>H</i>-indole)
• Authors of publication: Tang, Shi-Gui; Zhang, Dong-Mei; Wu, Wen-yuan; Shan, Liu; Guo, Cheng
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2006
• Journal volume: 62
• Journal issue: 10
• Pages of publication: o4691 - o4692
• a: 9.191 ± 0.0018 Å
• b: 10.838 ± 0.002 Å
• c: 20.879 ± 0.004 Å
• α: 90°
• β: 94.92 ± 0.03°
• γ: 90°
• Cell volume: 2072.1 ± 0.7 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.1024
• Residual factor for significantly intense reflections: 0.0614
• Weighted residual factors for significantly intense reflections: 0.1538
• Weighted residual factors for all reflections included in the refinement: 0.1789
• Goodness-of-fit parameter for all reflections included in the refinement: 1.042
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No