Information card for entry 1508955

Structure parameters

• Formula: C25 H28 N2 O8
• Calculated formula: C25 H28 N2 O8
• SMILES: O1C[C@@H](N(C1=O)C(=O)C(=C\[C@H](C)[C@@H](O)c1cc(OC)cc(N(=O)=O)c1OC)\C)Cc1ccccc1
• Title of publication: Asymmetric Total Syntheses of Ansamacrolactams (+)-Q-1047H-A-A and (+)-Q-1047H-R-A.
• Authors of publication: Yang, Shouliang; Xi, Yumeng; Zhu, Rong; Wang, Lin; Chen, Jiahua; Yang, Zhen
• Journal of publication: Organic letters
• Year of publication: 2013
• Journal volume: 15
• Journal issue: 4
• Pages of publication: 812 - 815
• a: 8.0877 ± 0.0016 Å
• b: 8.3009 ± 0.0017 Å
• c: 37.117 ± 0.007 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2491.9 ± 0.9 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 4
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0578
• Residual factor for significantly intense reflections: 0.0545
• Weighted residual factors for significantly intense reflections: 0.1208
• Weighted residual factors for all reflections included in the refinement: 0.1227
• Goodness-of-fit parameter for all reflections included in the refinement: 1.181
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No