Information card for entry 7154495

Structure parameters

• Formula: C30 H66 N4 O13 S2
• Calculated formula: C30 H66 N4 O13 S2
• SMILES: S(=O)(=O)(NCCCCCCCCCC)N[C@H]1OC[C@@H](O)[C@@H](O)[C@@H]1O.O
• Title of publication: Unexpected furanose/pyranose equilibration of N-glycosyl sulfonamides, sulfamides and sulfamates.
• Authors of publication: Suthagar, Kajitha; Polson, Matthew I. J.; Fairbanks, Antony J.
• Journal of publication: Organic & biomolecular chemistry
• Year of publication: 2015
• Journal volume: 13
• Journal issue: 23
• Pages of publication: 6573 - 6579
• a: 5.094 ± 0.001 Å
• b: 12.212 ± 0.002 Å
• c: 30.472 ± 0.006 Å
• α: 96.75 ± 0.03°
• β: 94.01 ± 0.03°
• γ: 92.39 ± 0.03°
• Cell volume: 1875.5 ± 0.6 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 K
• Number of distinct elements: 5
• Space group number: 1
• Hermann-Mauguin space group symbol: P 1
• Hall space group symbol: P 1
• Residual factor for all reflections: 0.1915
• Residual factor for significantly intense reflections: 0.1302
• Weighted residual factors for significantly intense reflections: 0.3225
• Weighted residual factors for all reflections included in the refinement: 0.3624
• Goodness-of-fit parameter for all reflections included in the refinement: 1.102
• Diffraction radiation wavelength: 0.7108 Å
• Diffraction radiation type: synchrotron
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No