Information card for entry 1549595

Structure parameters

• Formula: C26 H27 F N2 O4
• Calculated formula: C26 H27 F N2 O4
• SMILES: C1C2([C@H](c3ccccc3)O[C@@H]3C(c4ccc(cc4C[C@@H]13)F)(C)C)C(=O)N(C)C(=O)N(C)C2=O.C1C2([C@@H](c3ccccc3)O[C@H]3C(c4ccc(cc4C[C@H]13)F)(C)C)C(=O)N(C)C(=O)N(C)C2=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: 7.8572 ± 0.0013 Å
• b: 10.5461 ± 0.0018 Å
• c: 14.099 ± 0.002 Å
• α: 70.648 ± 0.002°
• β: 88.911 ± 0.002°
• γ: 85.089 ± 0.003°
• Cell volume: 1098.2 ± 0.3 ų
• Cell temperature: 90 K
• Ambient diffraction temperature: 90 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0787
• Residual factor for significantly intense reflections: 0.0527
• Weighted residual factors for significantly intense reflections: 0.1088
• Weighted residual factors for all reflections included in the refinement: 0.1202
• Goodness-of-fit parameter for all reflections included in the refinement: 1.052
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No