Information card for entry 1505659

Structure parameters

• Formula: C32 H28 Fe N3 P
• Calculated formula: C32 H28 Fe N3 P
• SMILES: [Fe]12345678([c]9([cH]1[cH]2[cH]3[c]49[C@@H](n1nncc1c1ccccc1)C)P(c1ccccc1)c1ccccc1)[cH]1[cH]5[cH]6[cH]7[cH]81
• Title of publication: ClickFerrophos: new chiral ferrocenyl phosphine ligands synthesized by click chemistry and the use of their metal complexes as catalysts for asymmetric hydrogenation and allylic substitution.
• Authors of publication: Fukuzawa, Shin-ichi; Oki, Hiroshi; Hosaka, Mitsuteru; Sugasawa, Jun; Kikuchi, Satoshi
• Journal of publication: Organic letters
• Year of publication: 2007
• Journal volume: 9
• Journal issue: 26
• Pages of publication: 5557 - 5560
• a: 10.135 ± 0.018 Å
• b: 10.972 ± 0.011 Å
• c: 23.73 ± 0.02 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2639 ± 6 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: 0.0402
• Weighted residual factors for all reflections included in the refinement: 0.0712
• 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