Information card for entry 7204455

Structure parameters

• Chemical name: 5-deoxy-5-C-(iododiphenylstannyl)-1,2-O-isopropylidene-alpha-L- xylofuranose
• Formula: C20 H23 I O4 Sn
• Calculated formula: C20 H23 I O4 Sn
• SMILES: [Sn]1(I)(C[C@H]2[C@H]([C@H]3[C@H](OC(C)(C)O3)O2)[OH]1)(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: 9.445 ± 0.0003 Å
• b: 10.2372 ± 0.0003 Å
• c: 12.8723 ± 0.0006 Å
• α: 105.124 ± 0.0012°
• β: 111.398 ± 0.0012°
• γ: 65.334 ± 0.003°
• Cell volume: 1044.38 ± 0.07 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 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: 0.0834
• Residual factor for significantly intense reflections: 0.0468
• Weighted residual factors for significantly intense reflections: 0.1003
• Weighted residual factors for all reflections included in the refinement: 0.1163
• Goodness-of-fit parameter for all reflections included in the refinement: 1.01
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No