Information card for entry 1505886

Structure parameters

• Formula: C26 H21 N O3
• Calculated formula: C26 H21 N O3
• SMILES: O1c2ccc(OC(=O)c3ccccc3)cc2[C@H]2[C@@]1(c1n(c3c(c1C2)cccc3)C)C.O1c2ccc(OC(=O)c3ccccc3)cc2[C@@H]2[C@]1(c1n(c3c(c1C2)cccc3)C)C
• Title of publication: Highly efficient construction of benzene ring in carbazoles by palladium-catalyzed endo-mode oxidative cyclization of 3-(3'-alkenyl)indoles.
• Authors of publication: Kong, Aidi; Han, Xiuling; Lu, Xiyan
• Journal of publication: Organic letters
• Year of publication: 2006
• Journal volume: 8
• Journal issue: 7
• Pages of publication: 1339 - 1342
• a: 10.1259 ± 0.0009 Å
• b: 14.7103 ± 0.0013 Å
• c: 14.0452 ± 0.0013 Å
• α: 90°
• β: 102.284 ± 0.002°
• γ: 90°
• Cell volume: 2044.2 ± 0.3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0873
• Residual factor for significantly intense reflections: 0.0516
• Weighted residual factors for significantly intense reflections: 0.1144
• Weighted residual factors for all reflections included in the refinement: 0.1284
• Goodness-of-fit parameter for all reflections included in the refinement: 0.899
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No