Information card for entry 1502267

Structure parameters

• Formula: C20 H17 N O2
• Calculated formula: C20 H17 N O2
• SMILES: n1(c2cc(O)cc(c2c2c1ccc(OC)c2)c1ccccc1)C
• Title of publication: Gold-catalyzed deacylative cycloisomerization reactions of 3-acylindole/ynes: a new approach for carbazole synthesis.
• Authors of publication: Wang, Lu; Li, Guijie; Liu, Yuanhong
• Journal of publication: Organic letters
• Year of publication: 2011
• Journal volume: 13
• Journal issue: 15
• Pages of publication: 3786 - 3789
• a: 5.5936 ± 0.0005 Å
• b: 13.6523 ± 0.0012 Å
• c: 20.192 ± 0.0017 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1542 ± 0.2 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.04
• Residual factor for significantly intense reflections: 0.0363
• Weighted residual factors for significantly intense reflections: 0.0875
• Weighted residual factors for all reflections included in the refinement: 0.0897
• Goodness-of-fit parameter for all reflections included in the refinement: 1.04
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No