Information card for entry 4028548

Structure parameters

• Formula: C29 H26 N2 O3
• Calculated formula: C29 H26 N2 O3
• SMILES: C1(=Nc2ccc(cc2)C)n2c(C=C(c3ccc(cc3)C(C)(C)C)O1)cc1cc3c(cc21)OCO3
• Title of publication: Counter Ion Effect in Au/Ag-Catalyzed Chemoselective 6-endo-dig N- and O-Cyclizations of Enyne-Urea System: Diversity-Oriented Synthesis of Annulated Indoles
• Authors of publication: Sahaj Gupta; Dipankar Koley; Krishnan Ravikumar; Bijoy Kundu
• Journal of publication: Journal of Organic Chemistry
• Year of publication: 2013
• Journal volume: 78
• Pages of publication: 8624 - 8633
• a: 6.0699 ± 0.0014 Å
• b: 22.271 ± 0.005 Å
• c: 17.599 ± 0.004 Å
• α: 90°
• β: 98.522 ± 0.004°
• γ: 90°
• Cell volume: 2352.8 ± 0.9 ų
• Cell temperature: 294 ± 2 K
• Ambient diffraction temperature: 294 ± 2 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.1474
• Residual factor for significantly intense reflections: 0.0874
• Weighted residual factors for significantly intense reflections: 0.1542
• Weighted residual factors for all reflections included in the refinement: 0.178
• Goodness-of-fit parameter for all reflections included in the refinement: 1.124
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No