Information card for entry 8106361

Structure parameters

• Formula: C16 H22 Br N O10
• Calculated formula: C16 H22 Br N O10
• SMILES: [C@H]1([C@H]([C@@H]([C@H]([C@H](NC(=O)CBr)O1)OC(=O)C)OC(=O)C)OC(=O)C)COC(=O)C
• Title of publication: Crystal structure of 6-(2-bromoacetamido)tetrahydro-2H-pyran-2,3,4,5-Tetrayl tetraacetate, C16H22BrNO10
• Authors of publication: Lin, Ping; Nie, Xu-Liang; Yin, Zhong-Ping; Li, Zhong-Chao; Liu, Jia; Shang-Guan, Xin-Chen; Peng, Da-Yong
• Journal of publication: Zeitschrift für Kristallographie - New Crystal Structures
• Year of publication: 2018
• Journal volume: 233
• Journal issue: 5
• Pages of publication: 955 - 957
• a: 9.7453 ± 0.0013 Å
• b: 9.9023 ± 0.0013 Å
• c: 21.885 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2111.9 ± 0.5 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 5
• 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: 0.0473
• Residual factor for significantly intense reflections: 0.0357
• Weighted residual factors for significantly intense reflections: 0.0911
• Weighted residual factors for all reflections included in the refinement: 0.0981
• Goodness-of-fit parameter for all reflections included in the refinement: 1.017
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No