Information card for entry 2201102

Structure parameters

• Common name: Cis-1,2-dibromostilbene, diphenylacetylene (2:1)
• Chemical name: Cis-1,2-dibromo-1,2-diphenylethene, diphenylethyne (2:1)
• Formula: C42 H30 Br4
• Calculated formula: C42 H30 Br4
• SMILES: c1ccc(cc1)C#Cc1ccccc1.BrC(=C(/c1ccccc1)Br)/c1ccccc1.BrC(=C(/c1ccccc1)Br)/c1ccccc1
• Title of publication: <i>cis</i>-1,2-Dibromo-1,2-diphenylethene–diphenylethyne (2/1)
• Authors of publication: Barnes, John C.; Chudek, John A.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2002
• Journal volume: 58
• Journal issue: 6
• Pages of publication: o703 - o705
• a: 14.8445 ± 0.0005 Å
• b: 5.7702 ± 0.0003 Å
• c: 20.741 ± 0.009 Å
• α: 90°
• β: 104.037 ± 0.002°
• γ: 90°
• Cell volume: 1723.5 ± 0.8 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 3
• 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: 0.088
• Residual factor for significantly intense reflections: 0.0554
• Weighted residual factors for significantly intense reflections: 0.1305
• Weighted residual factors for all reflections included in the refinement: 0.1482
• Goodness-of-fit parameter for all reflections included in the refinement: 1.035
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes