Information card for entry 2006082

Structure parameters

• Chemical name: (thian-5-one-1,1-dioxide)-3-spiro-3'-(5'-O-tert-butyldimethylsilyl-3'- deoxy-1',2'-O-isopropylidene-alpha-D-xylo-pentofuranose)
• Formula: C18 H32 O7 S Si
• Calculated formula: C18 H32 O7 S Si
• Title of publication: Absolute Structure of (Thian-5-one 1,1-dioxide)-3-spiro-3'-(5'-<i>O</i>-<i>tert</i>-butyldimethylsilyl-3'-deoxy-1',2'-<i>O</i>-isopropylidene-α-<small>D</small>-<i>xylo</i>-pentofuranose), a Novel Type of Spirosugar
• Authors of publication: Bernardinelli, G.; Tronchet, J. M. J.; Kovacs, I.
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1997
• Journal volume: 53
• Journal issue: 4
• Pages of publication: 511 - 513
• a: 6.6446 ± 0.0005 Å
• b: 9.4721 ± 0.0008 Å
• c: 35.046 ± 0.002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2205.7 ± 0.3 ų
• Cell temperature: 293 K
• Ambient diffraction temperature: 293 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: 0.068
• Residual factor for significantly intense reflections: 0.059
• Weighted residual factors for all reflections: 0.048
• Weighted residual factors for significantly intense reflections: 0.041
• Goodness-of-fit parameter for all reflections: 3.432
• Goodness-of-fit parameter for significantly intense reflections: 3.101
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No