Information card for entry 7053794

Structure parameters

• Common name: 1,2,5,6-Di-O-isopropylidene-alfa-D-3-glucofuranosyl (Rp)-1',2- bis(diphenylphosphino)ferrocene-1-carboxylate
• Chemical name: 1,2,5,6-Di-O-isopropylidene-alfa-D-3-glucofuranosyl (Rp)-1',2-bis(diphenylphosphino)ferrocene-1-carboxylate
• Formula: C47 H46 Fe O7 P2
• Calculated formula: C47 H46 Fe O7 P2
• 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)[c]1([cH]5[cH]6[cH]7[cH]81)P(c1ccccc1)c1ccccc1
• Title of publication: Preparation, coordination and catalytic use of planar-chiral monocarboxylated dppf analogues
• Authors of publication: Lamač, Martin; Císařová, Ivana; Štěpnička, Petr
• Journal of publication: New Journal of Chemistry
• Year of publication: 2009
• Journal volume: 33
• Journal issue: 7
• Pages of publication: 1549
• a: 34.878 ± 0.001 Å
• b: 8.5038 ± 0.0002 Å
• c: 14.9636 ± 0.0004 Å
• α: 90°
• β: 110.062 ± 0.001°
• γ: 90°
• Cell volume: 4168.84 ± 0.19 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 5
• Space group number: 5
• Hermann-Mauguin space group symbol: C 1 2 1
• Hall space group symbol: C 2y
• Residual factor for all reflections: 0.0417
• Residual factor for significantly intense reflections: 0.0331
• Weighted residual factors for significantly intense reflections: 0.0679
• Weighted residual factors for all reflections included in the refinement: 0.0718
• Goodness-of-fit parameter for all reflections included in the refinement: 1.051
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No