Information card for entry 1566918

Structure parameters

• Formula: C22 H38 N2 O7
• Calculated formula: C22 H38 N2 O7
• Title of publication: Harnessing natural-product-inspired combinatorial chemistry and computation-guided synthesis to develop N-glycan modulators as anticancer agents
• Authors of publication: Chen, Wei-An; Chen, Yu-Hsin; Hsieh, Chiao-Yun; Hung, Pi-Fang; Chen, Chiao-Wen; Chen, Chien-Hung; Lin, Jung-Lee; Cheng, Ting-Jen R.; Hsu, Tsui-Ling; Wu, Ying-Ta; Shen, Chia-Ning; Cheng, Wei-Chieh
• Journal of publication: Chemical Science
• Year of publication: 2022
• a: 9.608 ± 0.0003 Å
• b: 13.2461 ± 0.0005 Å
• c: 20.0321 ± 0.0006 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2549.46 ± 0.15 ų
• Cell temperature: 100 ± 0.2 K
• Ambient diffraction temperature: 100 ± 0.2 K
• Number of distinct elements: 4
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0391
• Residual factor for significantly intense reflections: 0.0345
• Weighted residual factors for significantly intense reflections: 0.0797
• Weighted residual factors for all reflections included in the refinement: 0.0824
• Goodness-of-fit parameter for all reflections included in the refinement: 1.024
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No