Information card for entry 4021227

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]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: 11.453 ± 0.004 Å
• b: 7.475 ± 0.003 Å
• c: 14.766 ± 0.002 Å
• α: 90°
• β: 105.35 ± 0.02°
• γ: 90°
• Cell volume: 1219 ± 0.7 ų
• Cell temperature: 293.1 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