Information card for entry 7218376

Structure parameters

• Formula: C26 H25 N O6
• Calculated formula: C26 H25 N O6
• SMILES: N1(c2c(cccc2)[C@H](C1=O)[C@@H]1/C(=C\C(=O)OCC)OC(=C\C(=O)OCc2ccccc2)\C1)C.N1(c2c(cccc2)[C@@H](C1=O)[C@H]1/C(=C\C(=O)OCC)OC(=C\C(=O)OCc2ccccc2)\C1)C
• Title of publication: Convenient Synthesis of Substituted Tetrahydrofuran via Lewis Base Catalyzed [3+2] Domino Reactions
• Authors of publication: Meng, Xiangtai; Liu, yufen; Zhang, qi; Du, yanlong; Yu, aimin; Zhang, Kui
• Journal of publication: RSC Adv.
• Year of publication: 2014
• a: 12.0466 ± 0.0011 Å
• b: 11.5265 ± 0.001 Å
• c: 16.5292 ± 0.0014 Å
• α: 90°
• β: 101.315 ± 0.002°
• γ: 90°
• Cell volume: 2250.6 ± 0.3 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/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0564
• Residual factor for significantly intense reflections: 0.0451
• Weighted residual factors for significantly intense reflections: 0.1159
• Weighted residual factors for all reflections included in the refinement: 0.1242
• Goodness-of-fit parameter for all reflections included in the refinement: 1.032
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No