Information card for entry 7103799

Structure parameters

• Common name: 03002a
• Formula: C21 H20
• Calculated formula: C21 H20
• SMILES: C1(C([C@@H]2CC[C@H]1C2)=Cc1ccccc1)=Cc1ccccc1
• Title of publication: ð Stacking interactions in some crystalline cisoid E,E-1,4-diaryl-1,3-butadienes
• Authors of publication: Jin Liu; Elisia M. Murray; Young Junior,Victor G.
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2003
• a: 6.0081 ± 0.0008 Å
• b: 11.5316 ± 0.0015 Å
• c: 22.082 ± 0.003 Å
• α: 90°
• β: 91.343 ± 0.002°
• γ: 90°
• Cell volume: 1529.5 ± 0.3 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 2
• 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: 0.052
• Residual factor for significantly intense reflections: 0.0457
• Weighted residual factors for significantly intense reflections: 0.1091
• Weighted residual factors for all reflections included in the refinement: 0.1125
• 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