Information card for entry 1512053

Structure parameters

• Formula: C36 H52 N4 O5
• Calculated formula: C36 H52 N4 O5
• SMILES: O=N1(C2CCCCC2)[C@@H](CCC1)C(=O)N[C@H](c1ccccc1)[C@H](NC(=O)[C@H]1N(=O)(CCC1)C1CCCCC1)c1ccccc1.O
• Title of publication: Efficient enantioselective synthesis of dihydropyrans using a chiral n,n'-dioxide as organocatalyst.
• Authors of publication: Feng, Juhua; Fu, Xuan; Chen, Zhenling; Lin, Lili; Liu, Xiaohua; Feng, Xiaoming
• Journal of publication: Organic letters
• Year of publication: 2013
• Journal volume: 15
• Journal issue: 11
• Pages of publication: 2640 - 2643
• a: 26.4401 ± 0.0018 Å
• b: 22.3692 ± 0.0009 Å
• c: 18.4184 ± 0.0014 Å
• α: 90°
• β: 131.651 ± 0.012°
• γ: 90°
• Cell volume: 8139.7 ± 1.8 ų
• Cell temperature: 143 ± 0.1 K
• Ambient diffraction temperature: 143 ± 0.1 K
• Number of distinct elements: 4
• Space group number: 5
• Hermann-Mauguin space group symbol: C 1 2 1
• Hall space group symbol: C 2y
• Residual factor for all reflections: 0.1419
• Residual factor for significantly intense reflections: 0.1136
• Weighted residual factors for significantly intense reflections: 0.3001
• Weighted residual factors for all reflections included in the refinement: 0.326
• Goodness-of-fit parameter for all reflections included in the refinement: 1.149
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No