Information card for entry 1505658

Structure parameters

• Formula: C32 H28 Fe N3 P
• Calculated formula: C32 H28 Fe N3 P
• SMILES: [Fe]12345678([c]9([C@@H](n%10nnc(c%11ccccc%11)c%10)C)[cH]1[cH]2[cH]3[c]49P(c1ccccc1)c1ccccc1)[cH]1[cH]8[cH]7[cH]6[cH]51
• 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: 11.978 ± 0.014 Å
• b: 14.62 ± 0.03 Å
• c: 14.881 ± 0.018 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2606 ± 7 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: 0.0544
• Weighted residual factors for all reflections included in the refinement: 0.0545
• 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