Information card for entry 2017937

Structure parameters

• Chemical name: 9-bromodinaphth[1,2-<i>a</i>:2',1'-<i>j</i>]anthracene
• Formula: C30 H17 Br
• Calculated formula: C30 H17 Br
• SMILES: Brc1c2ccc3ccc4ccccc4c3c2cc2c1ccc1ccc3ccccc3c21
• 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: 19.749 ± 0.003 Å
• b: 13.2672 ± 0.0017 Å
• c: 7.3108 ± 0.0009 Å
• α: 90°
• β: 90.021 ± 0.002°
• γ: 90°
• Cell volume: 1915.5 ± 0.4 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/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0366
• Residual factor for significantly intense reflections: 0.0301
• Weighted residual factors for significantly intense reflections: 0.0695
• Weighted residual factors for all reflections included in the refinement: 0.0731
• Goodness-of-fit parameter for all reflections included in the refinement: 1.061
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes