Information card for entry 2017936

Structure parameters

• Chemical name: 2-Bromo-1,3-bis[2-(2-naphthyl)vinyl]benzene benzene hemisolvate
• Formula: C33 H24 Br
• Calculated formula: C33 H24 Br
• SMILES: c1ccccc1.Brc1c(cccc1/C=C/c1ccc2c(c1)cccc2)/C=C/c1ccc2c(c1)cccc2
• Title of publication: 2-Bromo-1,3-bis[2-(2-naphthyl)vinyl]benzene benzene hemisolvate and 9-bromodinaphth[1,2-<i>a</i>:2',1'-<i>j</i>]anthracene
• Authors of publication: Mague, Joel T.; Chudomel, J. Matthew; Lahti, Paul M.
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2011
• Journal volume: 67
• Journal issue: 1
• Pages of publication: o43 - o46
• a: 11.633 ± 0.001 Å
• b: 26.665 ± 0.002 Å
• c: 15.2364 ± 0.0014 Å
• α: 90°
• β: 91.513 ± 0.001°
• γ: 90°
• Cell volume: 4724.6 ± 0.7 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 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: 0.0766
• Residual factor for significantly intense reflections: 0.0425
• Weighted residual factors for significantly intense reflections: 0.089
• Weighted residual factors for all reflections included in the refinement: 0.1011
• Goodness-of-fit parameter for all reflections included in the refinement: 1.011
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes