Information card for entry 4021229

Structure parameters

• Formula: C26 H27 Fe N O
• Calculated formula: C26 H27 Fe N O
• SMILES: [Fe]12345678([c]9([c]1([cH]2[cH]3[cH]49)[C@@H](O)c1ccccc1)[C@@H](N(C)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: 12.374 ± 0.003 Å
• b: 23.286 ± 0.002 Å
• c: 7.684 ± 0.002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2214.3 ± 0.7 ų
• Cell temperature: 296.2 K
• Ambient diffraction temperature: 296.2 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