Information card for entry 7025330

Structure parameters

• Formula: C27 H22 O8
• Calculated formula: C27 H22 O8
• SMILES: O1[C@H]2OC[C@@H]1[C@@H](OC(=O)c1ccccc1)[C@H](OC(=O)c1ccccc1)[C@H]2OC(=O)c1ccccc1
• Title of publication: Synthesis, characterization and reactivity of carbohydrate platinum(IV) complexes with thioglycoside ligands.
• Authors of publication: Vetter, Cornelia; Pornsuriyasak, Papapida; Schmidt, Jürgen; Rath, Nigam P.; Rüffer, Tobias; Demchenko, Alexei V.; Steinborn, Dirk
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2010
• Journal volume: 39
• Journal issue: 27
• Pages of publication: 6327 - 6338
• a: 9.6936 ± 0.0008 Å
• b: 11.011 ± 0.001 Å
• c: 11.4489 ± 0.001 Å
• α: 66.414 ± 0.004°
• β: 89.999 ± 0.004°
• γ: 89.894 ± 0.004°
• Cell volume: 1119.92 ± 0.17 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 3
• Space group number: 1
• Hermann-Mauguin space group symbol: P 1
• Hall space group symbol: P 1
• Residual factor for all reflections: 0.081
• Residual factor for significantly intense reflections: 0.0602
• Weighted residual factors for significantly intense reflections: 0.1447
• Weighted residual factors for all reflections included in the refinement: 0.1593
• Goodness-of-fit parameter for all reflections included in the refinement: 1.003
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No