Information card for entry 1554782

Structure parameters

• Formula: C34 H29 N5 O4 S
• Calculated formula: C34 H29 N5 O4 S
• SMILES: S(=O)(=O)(/N=C1/N(c2ccc(N(=O)=O)cc2C1(c1cn(c2c1cccc2)C)c1cn(c2c1cccc2)C)C)c1ccc(cc1)C
• Title of publication: Copper-catalyzed cascade double C3-indolations of 3-diazoindolin-2-imines with indoles: convenient access to 3,3-diaryl-2-iminoindoles.
• Authors of publication: Du, Zao; Xing, Yanpeng; Lu, Ping; Wang, Yanguang
• Journal of publication: Organic letters
• Year of publication: 2015
• Journal volume: 17
• Journal issue: 5
• Pages of publication: 1192 - 1195
• a: 9.7972 ± 0.0007 Å
• b: 10.509 ± 0.0008 Å
• c: 15.4371 ± 0.0011 Å
• α: 72.931 ± 0.007°
• β: 74.564 ± 0.006°
• γ: 84.268 ± 0.006°
• Cell volume: 1464.2 ± 0.2 ų
• Cell temperature: 170 K
• Ambient diffraction temperature: 170 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0625
• Residual factor for significantly intense reflections: 0.043
• Weighted residual factors for significantly intense reflections: 0.0952
• Weighted residual factors for all reflections included in the refinement: 0.1066
• Goodness-of-fit parameter for all reflections included in the refinement: 1.027
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No