Information card for entry 1549597

Structure parameters

• Formula: C26 H28 N2 O4
• Calculated formula: C26 H28 N2 O4
• SMILES: C1[C@H]2CC3([C@H](c4ccccc4)O[C@@H]2[C@H](c2c(cccc12)C)C)C(=O)N(C)C(=O)N(C)C3=O.C1[C@@H]2CC3([C@@H](c4ccccc4)O[C@H]2[C@@H](c2c(cccc12)C)C)C(=O)N(C)C(=O)N(C)C3=O
• Title of publication: Highly diastereoselective synthesis of tricyclic fused-pyrans by sequential hydride shift mediated double C(sp³)-H bond functionalization.
• Authors of publication: Mori, Keiji; Umehara, Nobuaki; Akiyama, Takahiko
• Journal of publication: Chemical science
• Year of publication: 2018
• Journal volume: 9
• Journal issue: 37
• Pages of publication: 7327 - 7331
• a: 7.6953 ± 0.0009 Å
• b: 15.2435 ± 0.0018 Å
• c: 18.799 ± 0.002 Å
• α: 90°
• β: 97.426 ± 0.002°
• γ: 90°
• Cell volume: 2186.7 ± 0.4 ų
• Cell temperature: 90 K
• Ambient diffraction temperature: 90 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: 0.067
• Residual factor for significantly intense reflections: 0.045
• Weighted residual factors for significantly intense reflections: 0.0977
• Weighted residual factors for all reflections included in the refinement: 0.1057
• Goodness-of-fit parameter for all reflections included in the refinement: 1.026
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No