Information card for entry 4021225

Structure parameters

• Formula: C28 H26 Fe O4
• Calculated formula: C28 H26 Fe O4
• SMILES: [Fe]12345678([c]9([c]1([cH]2[cH]3[cH]49)[C@@H](OC(=O)C)c1ccccc1)[C@H](OC(=O)C)c1ccccc1)[cH]1[cH]5[cH]6[cH]7[cH]81
• 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: 9.685 ± 0.003 Å
• b: 20.895 ± 0.005 Å
• c: 11.748 ± 0.003 Å
• α: 90°
• β: 108.501 ± 0.003°
• γ: 90°
• Cell volume: 2254.6 ± 1 ų
• Cell temperature: 123.1 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No