Information card for entry 7201008

Structure parameters

• Formula: C32 H34 O2
• Calculated formula: C32 H34 O2
• SMILES: O(c1c(C#Cc2ccccc2)cc(c(C#Cc2ccccc2)c1)OCCCCC)CCCCC
• 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: 6.2298 ± 0.0002 Å
• b: 22.1029 ± 0.0006 Å
• c: 10.0247 ± 0.0003 Å
• α: 90°
• β: 99.168 ± 0.002°
• γ: 90°
• Cell volume: 1362.73 ± 0.07 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 291 ± 2 K
• Number of distinct elements: 3
• 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: 0.0814
• Residual factor for significantly intense reflections: 0.0515
• Weighted residual factors for significantly intense reflections: 0.1532
• Weighted residual factors for all reflections included in the refinement: 0.1878
• Goodness-of-fit parameter for all reflections included in the refinement: 1.113
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No