Information card for entry 2217627

Structure parameters

• Common name: trans-1,2-bis(3-bromo-4-methylphenyl)ethylene
• Chemical name: (E)-1,2-Bis(3-bromo-4-methylphenyl)ethene
• Formula: C16 H14 Br2
• Calculated formula: C16 H14 Br2
• SMILES: Brc1c(ccc(c1)/C=C/c1ccc(c(Br)c1)C)C
• Title of publication: (<i>E</i>)-1,2-Bis(3-bromo-4-methylphenyl)ethene
• Authors of publication: Boeré, René T.; Robbins, Steven J.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2008
• Journal volume: 64
• Journal issue: 2
• Pages of publication: o363 - o363
• a: 6.3301 ± 0.0004 Å
• b: 7.6499 ± 0.0005 Å
• c: 28.164 ± 0.002 Å
• α: 90°
• β: 91.208 ± 0.001°
• γ: 90°
• Cell volume: 1363.53 ± 0.16 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 3
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0329
• Residual factor for significantly intense reflections: 0.0246
• Weighted residual factors for significantly intense reflections: 0.0512
• Weighted residual factors for all reflections included in the refinement: 0.0536
• Goodness-of-fit parameter for all reflections included in the refinement: 1.085
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes