Information card for entry 2216900

Structure parameters

• Chemical name: 4,4'-Bis(prop-2-ynyloxy)biphenyl
• Formula: C18 H14 O2
• Calculated formula: C18 H14 O2
• SMILES: C#CCOc1ccc(cc1)c1ccc(cc1)OCC#C
• Title of publication: 4,4'-Bis(prop-2-ynyloxy)biphenyl
• Authors of publication: Wu Zhang; Li Yao; Ruo-Jie Tao
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2008
• Journal volume: 64
• Journal issue: 1
• Pages of publication: o307 - o307
• a: 7.5881 ± 0.0016 Å
• b: 8.2061 ± 0.0018 Å
• c: 22.873 ± 0.005 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1424.3 ± 0.5 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 3
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.0732
• Residual factor for significantly intense reflections: 0.051
• Weighted residual factors for significantly intense reflections: 0.1082
• Weighted residual factors for all reflections included in the refinement: 0.1158
• Goodness-of-fit parameter for all reflections included in the refinement: 1.075
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes