Information card for entry 2217775

Structure parameters

• Chemical name: 5-(4-Bromobenzylidene)-5H-dibenzo[a,d][7]annulene
• Formula: C22 H15 Br
• Calculated formula: C22 H15 Br
• SMILES: Brc1ccc(cc1)C=C1c2ccccc2C=Cc2ccccc12
• Title of publication: 5-(4-Bromobenzylidene)-5<i>H</i>-dibenzo[<i>a</i>,<i>d</i>][7]annulene
• Authors of publication: Zheng, Ren-Hua
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2008
• Journal volume: 64
• Journal issue: 3
• Pages of publication: o589
• a: 8.4857 ± 0.0005 Å
• b: 19.0479 ± 0.0008 Å
• c: 10.6808 ± 0.0005 Å
• α: 90°
• β: 104.68 ± 0.0016°
• γ: 90°
• Cell volume: 1670.03 ± 0.14 ų
• Cell temperature: 296 ± 1 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 significantly intense reflections: 0.0532
• Weighted residual factors for all reflections included in the refinement: 0.1401
• Goodness-of-fit parameter for all reflections included in the refinement: 1.005
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes