Information card for entry 7204458

Structure parameters

• Chemical name: 3-C-(Triphenylstannyl)methyl-1,2:5,6-di-O-isopropylidene-alpha-D- allofuranose
• Formula: C31 H36 O6 Sn
• Calculated formula: C31 H36 O6 Sn
• SMILES: O[C@]1([C@@H]2[C@@H](OC(O2)(C)C)O[C@@H]1[C@@H]1OC(OC1)(C)C)C[Sn](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: 6.07 ± 0.004 Å
• b: 13.074 ± 0.012 Å
• c: 37.69 ± 0.03 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2991 ± 4 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 4
• 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: 0.1312
• Residual factor for significantly intense reflections: 0.056
• Weighted residual factors for significantly intense reflections: 0.094
• Weighted residual factors for all reflections included in the refinement: 0.1116
• Goodness-of-fit parameter for all reflections included in the refinement: 0.984
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No