Information card for entry 7244678

Structure parameters

• Formula: C17 H22 N2 O6
• Calculated formula: C17 H22 N2 O6
• SMILES: N([C@@H](CC(=O)c1ccccc1NC=O)C(=O)OC)C(=O)OC(C)(C)C
• Title of publication: Natural product cercosporin as a bioinspired photocatalyst for the synthesis of peptides containing kynurenine via an energy transfer mechanism
• Authors of publication: Yuan, Zhenbo; Lu, Liushen; Liu, Meiling; Liu, Xuanzhong; Liu, Changmei; Yin, Dejing; Zhang, Yan; Rao, Yijian
• Journal of publication: Green Chemistry
• Year of publication: 2022
• Journal volume: 24
• Journal issue: 8
• Pages of publication: 3277 - 3283
• a: 20.3983 ± 0.0008 Å
• b: 8.668 ± 0.0003 Å
• c: 14.0946 ± 0.0006 Å
• α: 90°
• β: 125.998 ± 0.002°
• γ: 90°
• Cell volume: 2016.2 ± 0.15 ų
• Cell temperature: 301 ± 2 K
• Ambient diffraction temperature: 301 ± 2 K
• Number of distinct elements: 4
• Space group number: 5
• Hermann-Mauguin space group symbol: C 1 2 1
• Hall space group symbol: C 2y
• Residual factor for all reflections: 0.062
• Residual factor for significantly intense reflections: 0.0596
• Weighted residual factors for significantly intense reflections: 0.1787
• Weighted residual factors for all reflections included in the refinement: 0.1829
• Goodness-of-fit parameter for all reflections included in the refinement: 1.179
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No