Information card for entry 4036559

Structure parameters

• Formula: C16 H19 N O5
• Calculated formula: C16 H19 N O5
• SMILES: C1(=O)Cc2cc(cc(c2C2=NO[C@@H](C2)CCC[C@H](C)O1)O)O
• Title of publication: Remote Stereoinductive Intramolecular Nitrile Oxide Cycloaddition: Asymmetric Total Synthesis and Structure Revision of (-)-11β-Hydroxycurvularin.
• Authors of publication: Choe, Hyeonjeong; Pham, Thuy Trang; Lee, Joo Yun; Latif, Muhammad; Park, Haeil; Kang, Young Kee; Lee, Jongkook
• Journal of publication: The Journal of organic chemistry
• Year of publication: 2016
• Journal volume: 81
• Journal issue: 6
• Pages of publication: 2612 - 2617
• a: 7.2483 ± 0.0002 Å
• b: 7.3559 ± 0.0002 Å
• c: 13.6601 ± 0.0003 Å
• α: 90°
• β: 92.012 ± 0.002°
• γ: 90°
• Cell volume: 727.88 ± 0.03 ų
• Cell temperature: 100 ± 1 K
• Ambient diffraction temperature: 100 ± 1 K
• Number of distinct elements: 4
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0382
• Residual factor for significantly intense reflections: 0.0341
• Weighted residual factors for significantly intense reflections: 0.0723
• Weighted residual factors for all reflections included in the refinement: 0.0746
• Goodness-of-fit parameter for all reflections included in the refinement: 1.039
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No