Information card for entry 2207398

Structure parameters

• Chemical name: 9-(4-Ethynylphenyl)-9H-carbazole
• Formula: C20 H13 N
• Calculated formula: C20 H13 N
• SMILES: n1(c2ccccc2c2ccccc12)c1ccc(cc1)C#C
• Title of publication: 9-(4-Ethynylphenyl)-9<i>H</i>-carbazole
• Authors of publication: Lin, Hai-Yao; Zhang, Xiao-Bo; Lu, Ping
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2005
• Journal volume: 61
• Journal issue: 11
• Pages of publication: o3597 - o3598
• a: 26.753 ± 0.003 Å
• b: 5.7309 ± 0.0006 Å
• c: 20.185 ± 0.002 Å
• α: 90°
• β: 110.868 ± 0.002°
• γ: 90°
• Cell volume: 2891.7 ± 0.5 ų
• Cell temperature: 294 ± 2 K
• Ambient diffraction temperature: 294 ± 2 K
• Number of distinct elements: 3
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0604
• Residual factor for significantly intense reflections: 0.0397
• Weighted residual factors for significantly intense reflections: 0.0919
• Weighted residual factors for all reflections included in the refinement: 0.0996
• Goodness-of-fit parameter for all reflections included in the refinement: 0.901
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes