Information card for entry 2011271

Structure parameters

• Chemical name: p-Cresyl 2,3-anhydro-5-phthalimido-1-thio-α-D-lyxofuranoside
• Formula: C20 H17 N O4 S
• Calculated formula: C20 H17 N O4 S
• SMILES: S([C@H]1O[C@@H]([C@@H]2O[C@H]12)CN1C(=O)c2c(C1=O)cccc2)c1ccc(cc1)C
• Title of publication: <i>p</i>-Cresyl 2,3-anhydro-5-deoxy-5-phthalimido-1-thio-α-<small>D</small>-lyxofuranoside
• Authors of publication: Gallucci, Judith C.; Gadikota, Rajendrakumar Reddy; Lowary, Todd L.
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2000
• Journal volume: 56
• Journal issue: 8
• Pages of publication: e365 - e365
• a: 12.166 ± 0.0004 Å
• b: 5.5725 ± 0.0002 Å
• c: 14.5413 ± 0.0004 Å
• α: 90°
• β: 109.247 ± 0.002°
• γ: 90°
• Cell volume: 930.73 ± 0.05 ų
• Cell temperature: 150 K
• Ambient diffraction temperature: 150 K
• Number of distinct elements: 5
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.058
• Residual factor for significantly intense reflections: 0.047
• Weighted residual factors for all reflections: 0.106
• Weighted residual factors for all reflections included in the refinement: 0.102
• Goodness-of-fit parameter for all reflections: 1.048
• Goodness-of-fit parameter for all reflections included in the refinement: 1.086
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes