Information card for entry 7223260

Structure parameters

• Formula: C14 H13 N O4
• Calculated formula: C14 H13 N O4
• SMILES: O(CC)C(=O)c1cc(C(=O)c2ccccc2O)c[nH]1
• Title of publication: Synthesis of substituted pyrroles using a silver-catalysed reaction between isocyanoacetates/benzyl isocyanides and chromones.
• Authors of publication: Qi, Xueyu; Xiang, Haoyue; Yang, Yuhong; Yang, Chunhao
• Journal of publication: RSC Adv.
• Year of publication: 2015
• a: 6.0219 ± 0.0006 Å
• b: 10.9014 ± 0.001 Å
• c: 19.3876 ± 0.0019 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1272.7 ± 0.2 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 4
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.036
• Residual factor for significantly intense reflections: 0.0334
• Weighted residual factors for significantly intense reflections: 0.0887
• Weighted residual factors for all reflections included in the refinement: 0.091
• Goodness-of-fit parameter for all reflections included in the refinement: 1.029
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No