Information card for entry 2217199

Structure parameters

• Chemical name: 2,3,4,6-Tetra-<i>O</i>-benzoyl-4-nitrophenyl-1-thio-α-D-mannopyranoside‒ dichloromethane‒diethyl ether (1/0.53/0.38)
• Formula: C41.03 H33.44 Cl0.53 N O11.19 S
• Calculated formula: C41.031 H33.444 Cl0.534 N O11.191 S
• Title of publication: 2,3,4,6-Tetra-<i>O</i>-benzoyl-4-nitrophenyl-1-thio-α-<small>D</small>-mannopyranoside‒dichloromethane‒diethyl ether mixed solvate (1/0.53/0.38)
• Authors of publication: Drouin, Ludovic; Cowley, Andrew R.; Fairbanks, Antony J.; Thompson, Amber L.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2008
• Journal volume: 64
• Journal issue: 1
• Pages of publication: o236 - o236
• a: 11.7508 ± 0.0002 Å
• b: 20.5564 ± 0.0003 Å
• c: 16.4633 ± 0.0002 Å
• α: 90°
• β: 105.87 ± 0.0016°
• γ: 90°
• Cell volume: 3825.2 ± 0.1 ų
• Cell temperature: 150 K
• Ambient diffraction temperature: 150 K
• Number of distinct elements: 6
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0554
• Residual factor for significantly intense reflections: 0.0465
• Weighted residual factors for all reflections: 0.0625
• Weighted residual factors for significantly intense reflections: 0.0559
• Weighted residual factors for all reflections included in the refinement: 0.0559
• Goodness-of-fit parameter for all reflections included in the refinement: 1.0941
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: Yes