Information card for entry 1506749

Structure parameters

• Formula: C24 H27 Fe N4 O3.5
• Calculated formula: C24 H27 Fe N4 O3.5
• SMILES: [Fe]12345678([c]9([cH]1[cH]2[cH]3[cH]49)C(=O)N[C@@H](C)C(=O)N1[C@H](CCC1)C(=O)Nc1ncccc1)[cH]1[cH]5[cH]6[cH]7[cH]81.O
• 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: 10.9029 ± 0.0002 Å
• b: 19.5118 ± 0.0003 Å
• c: 12.269 ± 0.0001 Å
• α: 90°
• β: 94.684 ± 0.001°
• γ: 90°
• Cell volume: 2601.33 ± 0.07 ų
• Cell temperature: 277.2 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 significantly intense reflections: 0.0874
• Weighted residual factors for all reflections included in the refinement: 0.2285
• Goodness-of-fit parameter for all reflections included in the refinement: 1.349
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No