Information card for entry 7106498

Structure parameters

• Formula: C27 H23 N O4
• Calculated formula: C27 H23 N O4
• SMILES: CCOC(=O)c1c(C(=O)c2ccccc2)n(c2ccc(cc2)OC)c(c2ccccc2)c1
• Title of publication: A straightforward one-pot multicomponent synthesis of polysubstituted pyrroles
• Authors of publication: Xufeng Lin; Zhenjun Mao; Xixiang Dai; Ping Lu; Yanguang Wang
• Journal of publication: Chem.Commun.
• Year of publication: 2011
• Journal volume: 47
• Pages of publication: 6620
• a: 17.898 ± 0.0009 Å
• b: 8.229 ± 0.0004 Å
• c: 15.4709 ± 0.0006 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2278.6 ± 0.18 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• Space group number: 29
• Hermann-Mauguin space group symbol: P c a 21
• Hall space group symbol: P 2c -2ac
• Residual factor for all reflections: 0.069
• Residual factor for significantly intense reflections: 0.0544
• Weighted residual factors for significantly intense reflections: 0.1461
• Weighted residual factors for all reflections included in the refinement: 0.1597
• Goodness-of-fit parameter for all reflections included in the refinement: 1
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No