Information card for entry 1506747

Structure parameters

• Formula: C43 H52 Cl10 Fe N8 O6
• Calculated formula: C43 H52 Cl10 Fe N8 O6
• SMILES: [Fe]12345678([c]9([cH]1[cH]3[cH]5[cH]79)C(=O)N[C@@H](C)C(=O)N1[C@H](CCC1)C(=O)Nc1ncccc1)[c]1([cH]2[cH]4[cH]6[cH]81)C(=O)N[C@@H](C)C(=O)N1[C@H](CCC1)C(=O)Nc1ncccc1.ClCCl.ClCCl.ClCCl.ClCCl.ClCCl
• Title of publication: Chirality organization of ferrocenes bearing dipeptide chains of heterochiral sequence.
• Authors of publication: Moriuchi, Toshiyuki; Nagai, Takayoshi; Hirao, Toshikazu
• Journal of publication: Organic letters
• Year of publication: 2005
• Journal volume: 7
• Journal issue: 23
• Pages of publication: 5265 - 5268
• a: 10.4525 ± 0.0002 Å
• b: 21.2119 ± 0.0004 Å
• c: 24.7104 ± 0.0004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 5478.73 ± 0.17 ų
• Cell temperature: 296.2 K
• Number of distinct elements: 6
• 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: 0.0979
• Weighted residual factors for all reflections included in the refinement: 0.2677
• Goodness-of-fit parameter for all reflections included in the refinement: 2.033
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No