Information card for entry 8107207

Structure parameters

• Chemical name: (N-acetyl-5-bromo-4-chloro-3-indoxyl)-2,3,4,6-tetra-O-acetyl-β-D-galactopyranoside
• Formula: C24 H26 Br Cl N O11.5
• Calculated formula: C24 H26 Br Cl N O11.5
• Title of publication: Crystal structure of (2R,3S,4S,5R,6S)-2-(acetoxymethyl)-6-((1-acetyl-5-bromo-4-chloro-1H-indol-3-yl)oxy)tetrahydro-2H-pyran-3,4,5-triyl triacetate hemihydrate C24H25BrClNO11
• Authors of publication: Liu, Yucong; Wang, Pingqiao; Ding, Haixin
• Journal of publication: Zeitschrift für Kristallographie - New Crystal Structures
• Year of publication: 2022
• Journal volume: 237
• Journal issue: 4
• Pages of publication: 755 - 757
• a: 28.914 ± 0.005 Å
• b: 7.9349 ± 0.0014 Å
• c: 13.062 ± 0.002 Å
• α: 90°
• β: 114.867 ± 0.003°
• γ: 90°
• Cell volume: 2719 ± 0.8 ų
• Cell temperature: 296.15 K
• Ambient diffraction temperature: 296.15 K
• Number of distinct elements: 6
• Space group number: 5
• Hermann-Mauguin space group symbol: C 1 2 1
• Hall space group symbol: C 2y
• Residual factor for all reflections: 0.0552
• Residual factor for significantly intense reflections: 0.034
• Weighted residual factors for significantly intense reflections: 0.0738
• Weighted residual factors for all reflections included in the refinement: 0.0804
• Goodness-of-fit parameter for all reflections included in the refinement: 0.995
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No