Information card for entry 1516461

Structure parameters

• Formula: C29 H23 N5 O2 S
• Calculated formula: C29 H23 N5 O2 S
• SMILES: S(=O)(=O)(N1c2ccccc2[C@@H]([C@@H](N=N#N)c2ccccc2)c2c3c([nH]c12)cccc3)c1ccc(cc1)C.S(=O)(=O)(N1c2ccccc2[C@H]([C@H](N=N#N)c2ccccc2)c2c3c([nH]c12)cccc3)c1ccc(cc1)C
• Title of publication: Gold-Catalyzed Cascade Cyclization of (Azido)ynamides: An Efficient Strategy for the Construction of Indoloquinolines.
• Authors of publication: Tokimizu, Yusuke; Oishi, Shinya; Fujii, Nobutaka; Ohno, Hiroaki
• Journal of publication: Organic letters
• Year of publication: 2014
• Journal volume: 16
• Journal issue: 11
• Pages of publication: 3138 - 3141
• a: 9.4716 ± 0.001 Å
• b: 10.8769 ± 0.0013 Å
• c: 11.9856 ± 0.0013 Å
• α: 83.113 ± 0.003°
• β: 83.385 ± 0.003°
• γ: 87.083 ± 0.003°
• Cell volume: 1216.8 ± 0.2 ų
• Cell temperature: 296 K
• Ambient diffraction temperature: 296 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 significantly intense reflections: 0.0527
• Weighted residual factors for all reflections included in the refinement: 0.1394
• Goodness-of-fit parameter for all reflections included in the refinement: 1.121
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No