Information card for entry 2007774

Structure parameters

• Chemical name: (1'R,2'S')-Tricarbonyl[(R)-[methyl 2,3-di-O-methyl-4,6-O-[[1',2',3',4',5',6'- η]-2'-[(methylthio)phenyl]methylene]-α-D-glucopyranoside]chromium(0)
• Formula: C20 H24 Cr O9 S
• Calculated formula: C20 H24 Cr O9 S
• SMILES: [Cr]([cH]12)([cH]13)([cH]21)([cH]12)([c]21SC)([c]13[C@H]1O[C@H]2[C@H](OC)[C@@H](OC)[C@@H](OC)O[C@@H]2CO1)(C#[O])(C#[O])C#[O]
• Title of publication: η^6^-Tricarbonylchromium Complexes of Methyl 4,6-<i>O</i>-Benzylidene-α-<small>D</small>-glucopyranosides
• Authors of publication: Rickard, Clifton E. F.; Woodgate, Paul D.; Zhao, Zhongde
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1998
• Journal volume: 54
• Journal issue: 10
• Pages of publication: 1420 - 1424
• a: 7.9722 ± 0.0002 Å
• b: 8.5924 ± 0.0002 Å
• c: 16.0785 ± 0.0004 Å
• α: 90°
• β: 92.72 ± 0.001°
• γ: 90°
• Cell volume: 1100.14 ± 0.05 ų
• Cell temperature: 203 ± 2 K
• Ambient diffraction temperature: 203 ± 2 K
• Number of distinct elements: 5
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.04
• Residual factor for significantly intense reflections: 0.034
• Weighted residual factors for significantly intense reflections: 0.092
• Weighted residual factors for all reflections included in the refinement: 0.103
• Goodness-of-fit parameter for all reflections included in the refinement: 1.105
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No