Information card for entry 2016298

Structure parameters

• Chemical name: 9-[(E)-2-(4-chlorophenyl)vinyl]-9<i>H</i>-carbazole
• Formula: C20 H14 Cl N
• Calculated formula: C20 H14 Cl N
• SMILES: c1cccc2c3ccccc3n(c12)/C=C/c1ccc(Cl)cc1
• 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: 14.319 ± 0.0011 Å
• b: 5.6943 ± 0.0005 Å
• c: 18.6247 ± 0.0018 Å
• α: 90°
• β: 102.73 ± 0.007°
• γ: 90°
• Cell volume: 1481.3 ± 0.2 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: 0.0614
• Residual factor for significantly intense reflections: 0.035
• Weighted residual factors for significantly intense reflections: 0.077
• Weighted residual factors for all reflections included in the refinement: 0.0803
• Goodness-of-fit parameter for all reflections included in the refinement: 1.022
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes