Information card for entry 4062293

Structure parameters

• Formula: C31 H34 Fe N2 O3
• Calculated formula: C31 H34 Fe N2 O3
• SMILES: [Fe]12345678([cH]9[cH]4[cH]3[cH]2[cH]19)[cH]1[cH]5[cH]6[cH]7[c]81C(=O)O[C@H](c1c2cc(ccc2ncc1)OC)[C@H]1N2CC[C@@H](C1)[C@H](C2)CC
• Title of publication: Ferrocenyl-substituted Cinchona Alkaloids: Synthesis, Structure and Application in Asymmetric Catalytic Oxidation
• Authors of publication: Muñiz, Kilian; Nieger, Martin
• Journal of publication: Organometallics
• Year of publication: 2003
• Journal volume: 22
• Journal issue: 22
• Pages of publication: 4616 - 4619
• a: 6.0317 ± 0.0001 Å
• b: 20.6003 ± 0.0002 Å
• c: 20.667 ± 0.0002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2567.97 ± 0.06 ų
• Cell temperature: 123 ± 2 K
• Ambient diffraction temperature: 123 ± 2 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
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No