Information card for entry 4327610

Structure parameters

• Formula: C21 H23 Fe N O2
• Calculated formula: C21 H23 Fe N O2
• SMILES: [Fe]12345678([cH]9[cH]1[cH]2[cH]3[cH]49)[cH]1[cH]5[cH]6[cH]7[c]81CN[C@H](C(=O)OC)Cc1ccccc1
• Title of publication: Chiral Ferrocene Amines Derived from Amino Acids and Peptides: Synthesis, Solution and X-ray Crystal Structures and Electrochemical Investigations
• Authors of publication: Alexandra Hess; Jan Sehnert; Thomas Weyhermüller; Nils Metzler-Nolte
• Journal of publication: Inorganic Chemistry
• Year of publication: 2000
• Journal volume: 39
• Pages of publication: 5437 - 5443
• a: 10.3006 ± 0.0012 Å
• b: 9.6465 ± 0.0008 Å
• c: 18.479 ± 0.002 Å
• α: 90°
• β: 102.98 ± 0.02°
• γ: 90°
• Cell volume: 1789.2 ± 0.4 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 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
• Residual factor for all reflections: 0.0771
• Residual factor for significantly intense reflections: 0.0599
• Weighted residual factors for all reflections: 0.1648
• Weighted residual factors for significantly intense reflections: 0.1519
• Goodness-of-fit parameter for all reflections: 1.062
• Goodness-of-fit parameter for significantly intense reflections: 1.108
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No