Information card for entry 1517607

Structure parameters

• Formula: C25 H30 N2 O6
• Calculated formula: C25 H30 N2 O6
• SMILES: n12CCCC(c1c(c(c2)C(=O)OC)c1ccccc1N(=O)=O)(C=C)CCC(=O)OC(C)(C)C
• Title of publication: Solvent-Controlled Switchable C-H Alkenylation of 4-Aryl-1H-pyrrole-3-carboxylates: Application to the Total Synthesis of (±)-Rhazinilam.
• Authors of publication: Su, Youla; Zhou, Haipin; Chen, Jiaxuan; Xu, Jinyi; Wu, Xiaoming; Lin, Aijun; Yao, Hequan
• Journal of publication: Organic letters
• Year of publication: 2014
• Journal volume: 16
• Journal issue: 18
• Pages of publication: 4884 - 4887
• a: 8.747 ± 0.0017 Å
• b: 11.114 ± 0.002 Å
• c: 13.238 ± 0.003 Å
• α: 105.88 ± 0.03°
• β: 91.47 ± 0.03°
• γ: 101.15 ± 0.03°
• Cell volume: 1210.2 ± 0.5 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1032
• Residual factor for significantly intense reflections: 0.0671
• Weighted residual factors for significantly intense reflections: 0.1569
• Weighted residual factors for all reflections included in the refinement: 0.1771
• Goodness-of-fit parameter for all reflections included in the refinement: 1.002
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No