Information card for entry 7203687

Structure parameters

• Common name: 9,10-bis(4'-carbomethoxyphenylethynyl)anthracene
• Chemical name: 9,10-bis(4'-carbomethoxyphenylethynyl)anthracene
• Formula: C34 H22 O4
• Calculated formula: C34 H22 O4
• Title of publication: Synthesis, optical properties, crystal structures and phase behaviour of symmetric, conjugated ethynylarene-based rigid rods with terminal carboxylate groups
• Authors of publication: Tolulope M. Fasina; Jonathan C. Collings; Jacqueline M. Burke; Andrei S. Batsanov; Richard M. Ward; David Albesa-Jové; Laurent Porrès; Andrew Beeby; Judith A. K. Howard; Andrew J. Scott; William Clegg; Stephen W. Watt; Christopher Viney; Todd B. Marder
• Journal of publication: Journal of Materials Chemistry
• Year of publication: 2005
• Journal volume: 15
• Journal issue: 6
• Pages of publication: 690
• a: 7.225 ± 0.001 Å
• b: 11.66 ± 0.001 Å
• c: 15.381 ± 0.001 Å
• α: 77.343 ± 0.001°
• β: 83.037 ± 0.001°
• γ: 72.026 ± 0.001°
• Cell volume: 1200.6 ± 0.2 ų
• Cell temperature: 110 ± 2 K
• Ambient diffraction temperature: 110 ± 2 K
• Number of distinct elements: 3
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0592
• Residual factor for significantly intense reflections: 0.04
• Weighted residual factors for significantly intense reflections: 0.1075
• Weighted residual factors for all reflections included in the refinement: 0.12
• Goodness-of-fit parameter for all reflections included in the refinement: 1.019
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No