Information card for entry 4000681

Structure parameters

• Common name: 2,7-Bis(3,4,5-trimethoxyphenylethenyl)-9,9-diethylfluorene
• Formula: C39 H42 O6
• Calculated formula: C39.1 H32 O6
• SMILES: COc1cc(/C=C/c2ccc3c(c2)C(CC)(c2c3ccc(c2)/C=C/c2cc(OC)c(c(c2)OC)OC)CC)cc(c1OC)OC
• Title of publication: Optimizing LED Properties of 2,7-Bis(phenylethenyl)fluorenes
• Authors of publication: Hemali P. Rathnayake; Ali Cirpan; Paul M. Lahti; Frank E. Karasz
• Journal of publication: Chem. Mater.
• Year of publication: 2006
• Journal volume: 18
• Journal issue: 2
• Pages of publication: 560 - 566
• a: 7.3474 ± 0.0002 Å
• b: 28.7742 ± 0.0009 Å
• c: 15.6631 ± 0.0004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3311.42 ± 0.16 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 3
• Space group number: 62
• Hermann-Mauguin space group symbol: P n m a
• Hall space group symbol: -P 2ac 2n
• Residual factor for all reflections: 0.1025
• Residual factor for significantly intense reflections: 0.0713
• Weighted residual factors for significantly intense reflections: 0.1595
• Weighted residual factors for all reflections included in the refinement: 0.1754
• Goodness-of-fit parameter for all reflections included in the refinement: 1.094
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No