Information card for entry 2221111

Structure parameters

• Chemical name: 4,12-Bis(2,2-dibromovinyl)[2.2]paracyclophane
• Formula: C20 H16 Br4
• Calculated formula: C20 H16 Br4
• SMILES: BrC(=Cc1cc2CCc3ccc(CCc1cc2)cc3C=C(Br)Br)Br
• Title of publication: 4,12-Bis(2,2-dibromovinyl)[2.2]paracyclophane
• Authors of publication: Clément, Sébastien; Guyard, Laurent; Knorr, Michael; Däschlein, Christian; Strohmann, Carsten
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2009
• Journal volume: 65
• Journal issue: 3
• Pages of publication: o528
• a: 12.155 ± 0.001 Å
• b: 8.3819 ± 0.0009 Å
• c: 18.335 ± 0.002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1868 ± 0.3 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 3
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.0397
• Residual factor for significantly intense reflections: 0.0319
• Weighted residual factors for significantly intense reflections: 0.0699
• Weighted residual factors for all reflections included in the refinement: 0.0732
• Goodness-of-fit parameter for all reflections included in the refinement: 1.075
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes