Information card for entry 1502269

Structure parameters

• Formula: C24 H31 N O2
• Calculated formula: C24 H31 N O2
• SMILES: n1(c2ccccc2c2c(cc(O)c(c12)C(=O)CC(C)C)CCCCCC)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: 7.927 ± 0.002 Å
• b: 8.405 ± 0.002 Å
• c: 17.286 ± 0.005 Å
• α: 100.81 ± 0.006°
• β: 92.514 ± 0.005°
• γ: 108.286 ± 0.005°
• Cell volume: 1067.6 ± 0.5 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1316
• Residual factor for significantly intense reflections: 0.0767
• Weighted residual factors for significantly intense reflections: 0.2162
• Weighted residual factors for all reflections included in the refinement: 0.2527
• Goodness-of-fit parameter for all reflections included in the refinement: 1.053
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No