Information card for entry 2007775

Structure parameters

• Chemical name: (1'R,2'S')-Tricarbonyl[(R)-[methyl 2,3-O-methyl-4,6-O-[[1',2',3',4',5',6'- η]-2'-[(diphenylphosphino)phenyl]methylene]-α-D-glucopyranoside]]- chromium(0) dichloromethane solvate
• Formula: C32 H33 Cl2 Cr O9 P
• Calculated formula: C32 H33 Cl2 Cr O9 P
• SMILES: [Cr]([c]12([C@H]3O[C@H]4[C@H](OC)[C@@H](OC)[C@@H](OC)O[C@@H]4CO3))([c]13(P(c4ccccc4)c4ccccc4))([cH]21)([cH]12)([cH]21)([cH]13)(C#[O])(C#[O])C#[O].C(Cl)Cl
• 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: 22.3782 ± 0.0001 Å
• b: 11.4738 ± 0.0001 Å
• c: 13.8548 ± 0.0002 Å
• α: 90°
• β: 108.007 ± 0.001°
• γ: 90°
• Cell volume: 3383.15 ± 0.06 ų
• Cell temperature: 203 ± 2 K
• Ambient diffraction temperature: 203 ± 2 K
• Number of distinct elements: 6
• Space group number: 5
• Hermann-Mauguin space group symbol: C 1 2 1
• Hall space group symbol: C 2y
• Residual factor for all reflections: 0.035
• Residual factor for significantly intense reflections: 0.03
• Weighted residual factors for significantly intense reflections: 0.077
• Weighted residual factors for all reflections included in the refinement: 0.08
• Goodness-of-fit parameter for all reflections included in the refinement: 1.045
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No