Information card for entry 8100047

Structure parameters

• Formula: C42 H66 Fe N4 O6
• Calculated formula: C42 H66 Fe N4 O6
• SMILES: [Fe]12345678([cH]9[cH]1[cH]2[c]3([cH]49)C(C)(C)[C@H]1N([C@@H](N(C1=O)C)C(C)(C)C)C(=O)OC(C)(C)C)[c]1([cH]5[cH]6[cH]7[cH]81)C(C)(C)[C@H]1N([C@@H](N(C1=O)C)C(C)(C)C)C(=O)OC(C)(C)C
• Title of publication: Crystal structure of (2R,2'R,5R,5'R)-1,1'-bis[1-(2-tert-butyl-1-carboxy- tert-butyl-3-methyl-4-oxo-imidazolidine-5-yl)-1-methyl]ferrocene, Fe(C~21~H~33~N~2~O~3~)~2~
• Authors of publication: Nöth, Heinrich; Beck, Wolfgang; Dialer, H.; Habereder, T.
• Journal of publication: Zeitschrift für Kristallographie - New Crystal Structures
• Year of publication: 2004
• Journal volume: 219
• Journal issue: 2
• Pages of publication: 132 - 134
• a: 10.7723 ± 0.0009 Å
• b: 11.7128 ± 0.0008 Å
• c: 33.392 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 4213.2 ± 0.6 ų
• Cell temperature: 193 K
• Ambient diffraction temperature: 193 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