Information card for entry 4028547

Structure parameters

• Formula: C29 H26 N2 O3
• Calculated formula: C29 H26 N2 O3
• SMILES: c1(=O)n(c(cc2cc3cc4c(cc3n12)OCO4)c1ccc(cc1)C(C)(C)C)c1ccc(cc1)C
• 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: 9.024 ± 0.0014 Å
• b: 12.568 ± 0.001 Å
• c: 21.352 ± 0.0017 Å
• α: 90°
• β: 104.171 ± 0.001°
• γ: 90°
• Cell volume: 2347.9 ± 0.5 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: 0.0599
• Residual factor for significantly intense reflections: 0.0477
• Weighted residual factors for significantly intense reflections: 0.1305
• Weighted residual factors for all reflections included in the refinement: 0.1426
• Goodness-of-fit parameter for all reflections included in the refinement: 1.025
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No