Information card for entry 7109036

Structure parameters

• Formula: C27 H32 N3 O3
• Calculated formula: C27 H31 N3 O3
• Title of publication: Rapid and selective access to three distinct sets of indole-based heterocycles from a single set of Ugi-adducts under microwave heating
• Authors of publication: Lei Zhang; Mingyue Zheng; Yun Zhai; Hong Liu
• Journal of publication: Chem.Commun.
• Year of publication: 2013
• Journal volume: 49
• Pages of publication: 2894
• a: 16.1956 ± 0.0001 Å
• b: 17.7581 ± 0.0001 Å
• c: 18.1464 ± 0.0002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 5218.96 ± 0.07 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 4
• Space group number: 20
• Hermann-Mauguin space group symbol: C 2 2 21
• Hall space group symbol: C 2c 2
• Residual factor for all reflections: 0.062
• Residual factor for significantly intense reflections: 0.0593
• Weighted residual factors for significantly intense reflections: 0.182
• Weighted residual factors for all reflections included in the refinement: 0.1869
• Goodness-of-fit parameter for all reflections included in the refinement: 1.129
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No