Information card for entry 4021228

Structure parameters

• Formula: C26 H25 Fe N O2
• Calculated formula: C26 H25 Fe N O2
• SMILES: [Fe]12345678([c]9([cH]4[cH]3[cH]2[c]19[C@H](O)c1ccccc1)[C@H](NC(=O)C)c1ccccc1)[cH]1[cH]8[cH]7[cH]6[cH]51
• Title of publication: Regioselective Aminolysis and Hydrolysis of Chiral 1,4-Ferrocenyl Diacetate
• Authors of publication: Shin-ichi Fukuzawa; Daisuke Wachi; Takashi Suzuki; Satoshi Itoh
• Journal of publication: Journal of Organic Chemistry
• Year of publication: 2004
• Journal volume: 69
• Pages of publication: 4991 - 4996
• a: 11.342 ± 0.001 Å
• b: 8.556 ± 0.001 Å
• c: 11.415 ± 0.001 Å
• α: 90°
• β: 70.701 ± 0.005°
• γ: 90°
• Cell volume: 1045.6 ± 0.2 ų
• Cell temperature: 108.1 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
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No