Information card for entry 2223440

Structure parameters

• Chemical name: 1,2:5,6-Di-<i>O</i>-isopropylidene-α-D-3-glucofuranosyl (<i>R</i>~p~)-2-(diphenylphosphino)ferrocene-1-carboxylate
• Formula: C35 H37 Fe O7 P
• Calculated formula: C35 H37 Fe O7 P
• SMILES: [Fe]12345678([c]9([c]1([cH]2[cH]3[cH]49)P(c1ccccc1)c1ccccc1)C(=O)O[C@@H]1[C@H]2OC(O[C@H]2O[C@@H]1[C@@H]1OC(OC1)(C)C)(C)C)[cH]1[cH]8[cH]7[cH]6[cH]51
• Title of publication: 1,2:5,6-Di-<i>O</i>-isopropylidene-α-<small>D</small>-3-glucofuranosyl (<i>R</i>~p~)-2-(diphenylphosphino)ferrocene-1-carboxylate
• Authors of publication: Štěpnička, Petr; Lamač, Martin; Císařová, Ivana
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2009
• Journal volume: 65
• Journal issue: 10
• Pages of publication: m1252 - m1253
• a: 10.3488 ± 0.0001 Å
• b: 11.5379 ± 0.0001 Å
• c: 26.983 ± 0.0003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3221.86 ± 0.06 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 5
• 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: 0.0501
• Residual factor for significantly intense reflections: 0.0421
• Weighted residual factors for significantly intense reflections: 0.1058
• Weighted residual factors for all reflections included in the refinement: 0.1118
• Goodness-of-fit parameter for all reflections included in the refinement: 1.074
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes