Information card for entry 2233952

Structure parameters

• Chemical name: 9-Ethynyl-9<i>H</i>-carbazole
• Formula: C14 H9 N
• Calculated formula: C14 H9 N
• SMILES: n1(c2ccccc2c2ccccc12)C#C
• Title of publication: 9-Ethynyl-9<i>H</i>-carbazole
• Authors of publication: Tabata, Hideyuki; Okuno, Tsunehisa
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2012
• Journal volume: 68
• Journal issue: 3
• Pages of publication: o828
• a: 23.642 ± 0.005 Å
• b: 16.171 ± 0.004 Å
• c: 5.1523 ± 0.0011 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1969.8 ± 0.8 ų
• Cell temperature: 93 K
• Ambient diffraction temperature: 93 K
• Number of distinct elements: 3
• Space group number: 33
• Hermann-Mauguin space group symbol: P n a 21
• Hall space group symbol: P 2c -2n
• Residual factor for significantly intense reflections: 0.0501
• Weighted residual factors for all reflections included in the refinement: 0.1343
• Goodness-of-fit parameter for all reflections included in the refinement: 1.104
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes