Information card for entry 7201006

Structure parameters

• Formula: C28 H26 O2
• Calculated formula: C28 H26 O2
• SMILES: c1(ccccc1)C#Cc1c(OCCC)cc(C#Cc2ccccc2)c(OCCC)c1
• 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: 5.7856 ± 0.0001 Å
• b: 14.9764 ± 0.0004 Å
• c: 13.3619 ± 0.0003 Å
• α: 90°
• β: 90.112 ± 0.001°
• γ: 90°
• Cell volume: 1157.77 ± 0.05 ų
• Cell temperature: 571 ± 2 K
• Ambient diffraction temperature: 571 ± 2 K
• Number of distinct elements: 3
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0684
• Residual factor for significantly intense reflections: 0.0424
• Weighted residual factors for significantly intense reflections: 0.112
• Weighted residual factors for all reflections included in the refinement: 0.1317
• Goodness-of-fit parameter for all reflections included in the refinement: 1.016
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No