Information card for entry 4131672

Structure parameters

• Formula: C22 H28 I N O5
• Calculated formula: C22 H28 I N O5
• SMILES: I/C(=C/[C@@H](NC(=O)[C@@H](O)C)[C@@]1(C(=O)[C@@H]([C@H](OC1=O)CCc1ccccc1)C)C)C
• Title of publication: Biomimetic Synthesis of Lankacidin Antibiotics.
• Authors of publication: Zheng, Kuan; Shen, Defeng; Hong, Ran
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2017
• Journal volume: 139
• Journal issue: 37
• Pages of publication: 12939 - 12942
• a: 6.1822 ± 0.0012 Å
• b: 13.451 ± 0.003 Å
• c: 14.282 ± 0.003 Å
• α: 79.78 ± 0.03°
• β: 89.81 ± 0.03°
• γ: 76.78 ± 0.03°
• Cell volume: 1137 ± 0.5 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 5
• Space group number: 1
• Hermann-Mauguin space group symbol: P 1
• Hall space group symbol: P 1
• Residual factor for all reflections: 0.1066
• Residual factor for significantly intense reflections: 0.0451
• Weighted residual factors for significantly intense reflections: 0.1042
• Weighted residual factors for all reflections included in the refinement: 0.1275
• Goodness-of-fit parameter for all reflections included in the refinement: 0.933
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No