Information card for entry 7201005

Structure parameters

• Formula: C26 H22 O2
• Calculated formula: C26 H22 O2
• SMILES: O(c1c(C#Cc2ccccc2)cc(c(C#Cc2ccccc2)c1)OCC)CC
• Title of publication: The influence of crystal packing on the solid state fluorescence behavior of alkyloxy substituted phenyleneethynylenes
• Authors of publication: Thomas, Reji; Varghese, Shinto; Kulkarni, G. U.
• Journal of publication: Journal of Materials Chemistry
• Year of publication: 2009
• Journal volume: 19
• Journal issue: 25
• Pages of publication: 4401
• a: 13.0543 ± 0.0005 Å
• b: 11.0691 ± 0.0004 Å
• c: 15.2735 ± 0.0005 Å
• α: 90°
• β: 109.434 ± 0.002°
• γ: 90°
• Cell volume: 2081.27 ± 0.13 ų
• Cell temperature: 571 ± 2 K
• Ambient diffraction temperature: 571 ± 2 K
• Number of distinct elements: 3
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0787
• Residual factor for significantly intense reflections: 0.0432
• Weighted residual factors for significantly intense reflections: 0.1097
• Weighted residual factors for all reflections included in the refinement: 0.1283
• Goodness-of-fit parameter for all reflections included in the refinement: 1.026
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No