Information card for entry 7158861

Structure parameters

• Formula: C28 H35 N O6
• Calculated formula: C28 H35 N O6
• SMILES: O[C@]12O[C@@]3([C@@](C[C@@]41O[C@]15O[C@@]6([C@](C(C=CC6=O)(C)C)(CC1=N4)CC5)C)(C(C=CC3=O)(C)C)CC2)C
• Title of publication: Antroxazole A, an oxazole-containing chamigrane dimer from the fungus Antrodiella albocinnamomea with immunosuppressive activity
• Authors of publication: He, Juan; Yu, Wei-Wei; Isaka, Masahiko; Cox, Russell J.; Liu, Ji-Kai; Feng, Tao
• Journal of publication: Organic & Biomolecular Chemistry
• Year of publication: 2022
• a: 6.3881 ± 0.0004 Å
• b: 11.947 ± 0.0007 Å
• c: 15.7014 ± 0.0009 Å
• α: 90°
• β: 98.325 ± 0.003°
• γ: 90°
• Cell volume: 1185.68 ± 0.12 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 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: 0.0482
• Residual factor for significantly intense reflections: 0.041
• Weighted residual factors for significantly intense reflections: 0.1094
• Weighted residual factors for all reflections included in the refinement: 0.1168
• Goodness-of-fit parameter for all reflections included in the refinement: 0.85
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No