Information card for entry 7204453

Structure parameters

• Chemical name: 5-Deoxy-1,2-O-isopropylidene-5-C-(triphenylstannyl)-alpha- D-xylofuranose
• Formula: C26 H28 O4 Sn
• Calculated formula: C26 H28 O4 Sn
• SMILES: [Sn](C[C@@H]1[C@@H]([C@@H]2[C@@H](OC(C)(C)O2)O1)O)(c1ccccc1)(c1ccccc1)c1ccccc1
• Title of publication: Hydroxy group interactions in stannylated carbohydrates. Structures and thermal stabilities of 5-deoxy-5-C-(Ph3Sn)-1,2-O-isopropylidene-??-D-xylofuranose, 5-deoxy-5-C-(IPh2Sn)-1,2-O-isopropylidene-??-D- and -L-xylofuranose, and 5-deoxy-5-C-(I2PhSn)-1,2-O-isopropylidene-??-D- and -L-xylofuranose
• Authors of publication: Burnett, Lynne A.; Ferreira, Vitor F.; Alan Howie, R.; Rufino, Helena; Skakle, Janet M. S.; Wardell, James L.; Wardell, Solange M. S. V.
• Journal of publication: Journal of the Chemical Society, Perkin Transactions 1
• Year of publication: 2002
• Journal issue: 20
• Pages of publication: 2288
• a: 12.82 ± 0.01 Å
• b: 6.658 ± 0.006 Å
• c: 14.427 ± 0.012 Å
• α: 90°
• β: 97.78 ± 0.06°
• γ: 90°
• Cell volume: 1220.1 ± 1.8 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 4
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0889
• Residual factor for significantly intense reflections: 0.0679
• Weighted residual factors for significantly intense reflections: 0.1513
• Weighted residual factors for all reflections included in the refinement: 0.1659
• Goodness-of-fit parameter for all reflections included in the refinement: 1.056
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No