Information card for entry 4020413

Structure parameters

• Formula: C27 H24 Fe N2
• Calculated formula: C27 H24 Fe N2
• SMILES: [Fe]12345678([c]9([cH]4[cH]3[cH]2[c]19c1cccc2ccccc12)c1c(ccnc1)N(C)C)[cH]1[cH]5[cH]6[cH]7[cH]81
• Title of publication: Design and Synthesis of a New Type of Ferrocene-Based Planar Chiral DMAP Analogues. A New Catalyst System for Asymmetric Nucleophilic Catalysis
• Authors of publication: Jimmi Gerner Seitzberg; Carsten Dissing; Inger Søtofte; Per-Ola Norrby; Mogens Johannsen
• Journal of publication: Journal of Organic Chemistry
• Year of publication: 2005
• Journal volume: 70
• Pages of publication: 8332 - 8337
• a: 9.0037 ± 0.0004 Å
• b: 23.3605 ± 0.001 Å
• c: 10.2352 ± 0.0005 Å
• α: 90°
• β: 105.384 ± 0.001°
• γ: 90°
• Cell volume: 2075.64 ± 0.16 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 2 K
• Number of distinct elements: 4
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No