Information card for entry 4027363

Structure parameters

• Formula: C19 H19 Fe I2 N
• Calculated formula: C19 H19 Fe I2 N
• SMILES: I[c]12[Fe]3456789([cH]1[cH]3[cH]4[c]25[C@H](N(C)C)c1ccccc1I)[cH]1[cH]6[cH]7[cH]8[cH]91
• Title of publication: Stereochemistry of Substitution of the α-Dimethylamino Group by Dialkylzinc in Chiral Benzylferrocene
• Authors of publication: Tatsuki Takahashi; Takashi Konno; Kenichi Ogata; Shin-ichi Fukuzawa
• Journal of publication: Journal of Organic Chemistry
• Year of publication: 2012
• Journal volume: 77
• Pages of publication: 6638 - 6642
• a: 23.305 ± 0.018 Å
• b: 7.753 ± 0.011 Å
• c: 10.364 ± 0.008 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1873 ± 3 ų
• Cell temperature: 123.1 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
• Residual factor for significantly intense reflections: 0.0465
• Weighted residual factors for all reflections included in the refinement: 0.0472
• Goodness-of-fit parameter for all reflections included in the refinement: 1
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No