Information card for entry 4022704

Structure parameters

• Formula: C22 H27 Fe N Si
• Calculated formula: C22 H27 Fe N Si
• SMILES: [Fe]12345678([c]9%10[cH]1[cH]2[c]3([c]4%10[C@H](N(C)C)c1ccccc91)[Si](C)(C)C)[cH]1[cH]5[cH]6[cH]7[cH]81
• Title of publication: Unexpected 1,5-Dilithiation of Chiral o-TMS Blocked (Dimethylamino)phenylmethylferrocene: An Alternative Approach to Chiral Ferrocenyl 1,5-Diphosphanes
• Authors of publication: Shin-ichi Fukuzawa; Masahisa Yamamoto; Satoshi Kikuchi
• Journal of publication: Journal of Organic Chemistry
• Year of publication: 2007
• Journal volume: 72
• Pages of publication: 1514 - 1517
• a: 9.59 ± 0.02 Å
• b: 10.15 ± 0.02 Å
• c: 10.58 ± 0.04 Å
• α: 90°
• β: 100.32 ± 0.07°
• γ: 90°
• Cell volume: 1013 ± 5 ų
• Cell temperature: 123.1 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 significantly intense reflections: 0.064
• Weighted residual factors for all reflections included in the refinement: 0.066
• 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