Information card for entry 7131300

Structure parameters

• Formula: C44 H41 N O10
• Calculated formula: C44 H41 N O10
• Title of publication: Non-classical <i>C</i>-saccharide linkage of dehydroalanine: synthesis of <i>C</i>-glycoamino acids and <i>C</i>-glycopeptides.
• Authors of publication: Wang, Mengran; Wang, Chao; Xie, Xiuling; Pan, Da; Liu, Liangyu; Chen, Qiao; Li, Zhixuan; Zhang, Qi; Xu, Zhaoqing
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2023
• Journal volume: 59
• Journal issue: 22
• Pages of publication: 3305 - 3308
• a: 9.4574 ± 0.0002 Å
• b: 10.5099 ± 0.0002 Å
• c: 39.2952 ± 0.0006 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3905.8 ± 0.13 ų
• Cell temperature: 149.99 ± 0.1 K
• Ambient diffraction temperature: 149.99 ± 0.1 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: 0.0781
• Residual factor for significantly intense reflections: 0.0736
• Weighted residual factors for significantly intense reflections: 0.1985
• Weighted residual factors for all reflections included in the refinement: 0.2018
• Goodness-of-fit parameter for all reflections included in the refinement: 1.097
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No