Information card for entry 1506768

Structure parameters

• Formula: C30 H40 Fe2 N2 O2
• Calculated formula: C30 H40 Fe2 N2 O2
• SMILES: [Fe]12345678([c]9([c]4([cH]3[cH]2[cH]19)[C@H](O)[C@@H](O)[c]12[c]3([Fe]49%10%11%12%131([cH]2[cH]4[cH]39)[cH]1[cH]%10[cH]%11[cH]%12[cH]%131)[C@H](N(C)C)C)[C@H](N(C)C)C)[cH]1[cH]5[cH]6[cH]7[cH]81
• Title of publication: Stereoselective pinacol coupling of chiral formylferrocene using divalent samarium triflate: preparation of a new chiral bisferrocenyl oxazoline ligand and its application to asymmetric Diels-Alder reactions.
• Authors of publication: Fukuzawa, Shin-ichi; Yahara, Yuusuke; Kamiyama, Akira; Hara, Masumi; Kikuchi, Satoshi
• Journal of publication: Organic letters
• Year of publication: 2005
• Journal volume: 7
• Journal issue: 26
• Pages of publication: 5809 - 5812
• a: 11.484 ± 0.005 Å
• b: 12.169 ± 0.006 Å
• c: 18.868 ± 0.009 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2637 ± 2 ų
• Cell temperature: 123.1 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 significantly intense reflections: 0.061
• Weighted residual factors for all reflections included in the refinement: 0.062
• Goodness-of-fit parameter for all reflections included in the refinement: 1
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No