Information card for entry 4077042

Structure parameters

• Formula: C26 H27 Fe O P Si
• Calculated formula: C26 H27 Fe O P Si
• SMILES: [Fe]12345678([c]9([c]1(P(c1ccccc1)c1ccccc1)[cH]2[cH]3[c]49[Si](C)(C)C)C=O)[cH]1[cH]5[cH]6[cH]7[cH]81
• Title of publication: Selective Functionalization of Chiral Ferrocenyl Acetals. Easy Access to Various Tri- and Tetrasubstituted Ferrocenes with Controlled Geometry
• Authors of publication: Chiffre, Jérôme; Coppel, Yannick; Balavoine, Gilbert G. A.; Daran, Jean-Claude; Manoury, Eric
• Journal of publication: Organometallics
• Year of publication: 2002
• Journal volume: 21
• Journal issue: 21
• Pages of publication: 4552
• a: 12.3089 ± 0.0011 Å
• b: 12.9052 ± 0.0015 Å
• c: 15.0422 ± 0.0016 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2389.4 ± 0.4 ų
• Cell temperature: 160 ± 2 K
• Ambient diffraction temperature: 160 ± 2 K
• Number of distinct elements: 6
• 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: 0.0454
• Residual factor for significantly intense reflections: 0.0347
• Weighted residual factors for significantly intense reflections: 0.0768
• Weighted residual factors for all reflections included in the refinement: 0.0811
• Goodness-of-fit parameter for all reflections included in the refinement: 1.016
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No