Information card for entry 2016299

Structure parameters

• Chemical name: 9-[(E)-2-(4-bromophenyl)vinyl]-9<i>H</i>-carbazole
• Formula: C20 H14 Br N
• Calculated formula: C20 H14 Br N
• SMILES: Brc1ccc(cc1)/C=C/n1c2ccccc2c2c1cccc2
• Title of publication: Three 9-[(<i>E</i>)-2-(4-halogenophenyl)vinyl]-9<i>H</i>-carbazoles
• Authors of publication: Kubicki, Maciej; Prukała, Wiesław; Marciniec, Bogdan
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2007
• Journal volume: 63
• Journal issue: 12
• Pages of publication: o754 - o757
• a: 14.5152 ± 0.0005 Å
• b: 5.6485 ± 0.0002 Å
• c: 18.826 ± 0.0006 Å
• α: 90°
• β: 103.605 ± 0.003°
• γ: 90°
• Cell volume: 1500.22 ± 0.09 ų
• Cell temperature: 100 ± 1 K
• Ambient diffraction temperature: 100 ± 1 K
• Number of distinct elements: 4
• 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: 0.0425
• Residual factor for significantly intense reflections: 0.0287
• Weighted residual factors for significantly intense reflections: 0.0645
• Weighted residual factors for all reflections included in the refinement: 0.0663
• Goodness-of-fit parameter for all reflections included in the refinement: 1.076
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes