Information card for entry 1516462

Structure parameters

• Formula: C29 H22 N2 O2 S
• Calculated formula: C29 H22 N2 O2 S
• SMILES: S(=O)(=O)(N1C2=Nc3ccccc3[C@]32[C@H]([C@H]3c2ccccc2)c2c1cccc2)c1ccc(cc1)C.S(=O)(=O)(N1C2=Nc3ccccc3[C@@]32[C@@H]([C@@H]3c2ccccc2)c2c1cccc2)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: 19.6725 ± 0.0012 Å
• b: 18.2791 ± 0.0011 Å
• c: 12.5149 ± 0.0007 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 4500.3 ± 0.5 ų
• Cell temperature: 296 K
• Ambient diffraction temperature: 296 K
• Number of distinct elements: 5
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for significantly intense reflections: 0.0404
• Weighted residual factors for all reflections included in the refinement: 0.058
• Goodness-of-fit parameter for all reflections included in the refinement: 1.331
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No