Information card for entry 4504304

Structure parameters

• Common name: Trans-DPDSB
• Chemical name: Trans,trans-2,5-Diphenyl-1,4-distyrylbenzene
• Formula: C34 H26
• Calculated formula: C34 H26
• SMILES: c1c(/C=C/c2ccccc2)c(c2ccccc2)cc(/C=C/c2ccccc2)c1c1ccccc1
• Title of publication: Crystal Structure of a Highly Luminescent Slice Crystal Grown in the Vapor Phase: A New Polymorph of 2,5-Diphenyl-1,4-distyrylbenzene
• Authors of publication: Xie, Zengqi; Wang, Huan; Li, Feng; Xie, Weijie; Liu, Linlin; Yang, Bing; Ye, Ling; Ma, Yuguang
• Journal of publication: Crystal Growth & Design
• Year of publication: 2007
• Journal volume: 7
• Journal issue: 12
• Pages of publication: 2512
• a: 6.6687 ± 0.0013 Å
• b: 8.0335 ± 0.0016 Å
• c: 11.706 ± 0.002 Å
• α: 80.01 ± 0.03°
• β: 83.27 ± 0.03°
• γ: 83.93 ± 0.03°
• Cell volume: 611 ± 0.2 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 2
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0794
• Residual factor for significantly intense reflections: 0.0463
• Weighted residual factors for significantly intense reflections: 0.124
• Weighted residual factors for all reflections included in the refinement: 0.1369
• Goodness-of-fit parameter for all reflections included in the refinement: 1.048
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No