Information card for entry 1508782

Structure parameters

• Formula: C21 H19 N
• Calculated formula: C21 H19 N
• SMILES: n1(c2ccccc2c2c1cc(cc2c1ccccc1)C)CC
• Title of publication: Carbazoles via AuCl(3)-Catalyzed Cyclization of 1-(Indol-2-yl)-3-alkyn-1-ols.
• Authors of publication: Qiu, Youai; Kong, Wangqing; Fu, Chunling; Ma, Shengming
• Journal of publication: Organic letters
• Year of publication: 2012
• Journal volume: 14
• Journal issue: 24
• Pages of publication: 6198 - 6201
• a: 8.9461 ± 0.0006 Å
• b: 8.981 ± 0.0006 Å
• c: 20.001 ± 0.0013 Å
• α: 90°
• β: 90.115 ± 0.005°
• γ: 90°
• Cell volume: 1606.98 ± 0.18 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 3
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.059
• Residual factor for significantly intense reflections: 0.0395
• Weighted residual factors for significantly intense reflections: 0.0889
• Weighted residual factors for all reflections included in the refinement: 0.0972
• Goodness-of-fit parameter for all reflections included in the refinement: 1.035
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No