Information card for entry 1557922

Structure parameters

• Formula: C72 H88 N12 O16
• Calculated formula: C72 H88.0031 N12 O16
• Title of publication: Production of Antitubercular Depsipeptides via Biosynthetic Engineering of Cinnamoyl Units
• Authors of publication: Yang, Zhijie; Sun, Changli; Liu, Zhiyong; Liu, Qing; Zhang, Tianyu; Ju, Jianhua; Ma, Junying
• Journal of publication: Journal of Natural Products
• Year of publication: 2020
• a: 12.5668 ± 0.0002 Å
• b: 20.9262 ± 0.0003 Å
• c: 15.2207 ± 0.0002 Å
• α: 90°
• β: 103.722 ± 0.002°
• γ: 90°
• Cell volume: 3888.43 ± 0.1 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: 0.0526
• Residual factor for significantly intense reflections: 0.0452
• Weighted residual factors for significantly intense reflections: 0.1209
• Weighted residual factors for all reflections included in the refinement: 0.1262
• Goodness-of-fit parameter for all reflections included in the refinement: 1.04
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No