Information card for entry 4112133

Structure parameters

• Formula: C51 H47 N3 O11
• Calculated formula: C51 H47 N3 O11
• SMILES: [C@H]12[C@@H]([C@H]([C@@H]([C@H](CO1)O2)O[C@H]1[C@@H]([C@H]([C@@H]([C@@H](COC(=O)c2ccccc2)O1)OCc1ccc2ccccc2c1)OCc1ccccc1)N=N#N)OCc1ccccc1)OC(=O)c1ccccc1
• Title of publication: Synthesis of Heparin Oligosaccharides
• Authors of publication: Jinq-Chyi Lee; Xin-An Lu; Suvarn S. Kulkarni; Yuh-Sheng Wen; Shang-Cheng Hung
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2004
• Journal volume: 126
• Pages of publication: 476 - 477
• a: 16.088 Å
• b: 8.777 Å
• c: 16.756 Å
• α: 90°
• β: 102.5°
• γ: 90°
• Cell volume: 2309.94 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.1534
• Residual factor for significantly intense reflections: 0.04
• Weighted residual factors for significantly intense reflections: 0.1101
• Weighted residual factors for all reflections included in the refinement: 0.1754
• Goodness-of-fit parameter for all reflections included in the refinement: 0.88
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No