Information card for entry 7111537

Structure parameters

• Formula: C26 H25 N O5
• Calculated formula: C26 H25 N O5
• SMILES: N1(c2ccccc2)[C@@](c2ccccc2)([C@@H](c2ccccc2)C[C@@]1(O)C(=O)OC)C(=O)OC.N1(c2ccccc2)[C@](c2ccccc2)([C@H](c2ccccc2)C[C@]1(O)C(=O)OC)C(=O)OC
• Title of publication: One-pot three-component tandem reaction of diazo compounds with anilines and unsaturated ketoesters: a novel synthesis of 2,3-dihydropyrrole derivatives
• Authors of publication: Zhu, Yingguang; Zhai, Changwei; Yue, Yongli; Yang, Liping; Hu, Wenhao
• Journal of publication: Chemical Communications
• Year of publication: 2009
• Journal issue: 11
• Pages of publication: 1362 - 1364
• a: 13.6991 ± 0.0006 Å
• b: 9.8616 ± 0.0005 Å
• c: 17.5991 ± 0.0008 Å
• α: 90°
• β: 105.526 ± 0.001°
• γ: 90°
• Cell volume: 2290.79 ± 0.19 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0506
• Residual factor for significantly intense reflections: 0.0426
• Weighted residual factors for significantly intense reflections: 0.1168
• Weighted residual factors for all reflections included in the refinement: 0.1257
• 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