Information card for entry 1505660

Structure parameters

• Formula: C45 H37 Fe N3 P2
• Calculated formula: C44 H37 Fe N3 P2
• SMILES: [Fe]12345678([c]9(P(c%10ccccc%10)c%10ccccc%10)[c]1([cH]2[cH]3[cH]49)[C@@H](n1nnc(c1P(c1ccccc1)c1ccccc1)c1ccccc1)C)[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: 13.618 ± 0.017 Å
• b: 10.383 ± 0.011 Å
• c: 13.95 ± 0.02 Å
• α: 90°
• β: 116.34 ± 0.04°
• γ: 90°
• Cell volume: 1768 ± 4 ų
• Cell temperature: 123.1 K
• Number of distinct elements: 5
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for significantly intense reflections: 0.0326
• Weighted residual factors for all reflections included in the refinement: 0.0345
• Goodness-of-fit parameter for all reflections included in the refinement: 1.005
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No