Information card for entry 4505234

Structure parameters

• Common name: Cis-DPDSB
• Chemical name: Cis,cis-2,5-Diphenyl-1,4-distyrylbenzene
• Formula: C34 H26
• Calculated formula: C34 H26
• SMILES: c1(c2ccccc2)cc(c(c2ccccc2)cc1/C=C\c1ccccc1)/C=C\c1ccccc1
• Title of publication: Polymorphism of 2,5-Diphenyl-1,4-distyrylbenzene with Two cis Double Bonds: The Essential Role of Aromatic CH/π Hydrogen Bonds
• Authors of publication: Xie, Zengqi; Liu, Linlin; Yang, Bing; Yang, Guangdi; Ye, Ling; Li, Min; Ma, Yuguang
• Journal of publication: Crystal Growth & Design
• Year of publication: 2005
• Journal volume: 5
• Journal issue: 5
• Pages of publication: 1959
• a: 7.5099 ± 0.0007 Å
• b: 9.1405 ± 0.0011 Å
• c: 10.2177 ± 0.0013 Å
• α: 72.744 ± 0.003°
• β: 72.976 ± 0.003°
• γ: 74.679 ± 0.005°
• Cell volume: 628.27 ± 0.13 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: 0.0731
• Residual factor for significantly intense reflections: 0.0506
• Weighted residual factors for significantly intense reflections: 0.1508
• Weighted residual factors for all reflections included in the refinement: 0.1679
• Goodness-of-fit parameter for all reflections included in the refinement: 1.055
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No