Information card for entry 4115410

Structure parameters

• Formula: C32 H46 Fe N4 O8
• Calculated formula: C32 H46 Fe N4 O8
• SMILES: [Fe]12345678([c]9([cH]1[cH]2[cH]3[cH]49)C(=O)NCC(=O)N[C@@H](CC(C)C)C(=O)OCC)[c]1([cH]5[cH]6[cH]7[cH]81)C(=O)NCC(=O)N[C@@H](CC(C)C)C(=O)OCC
• Title of publication: Chirality Organization of Ferrocenes Bearing Podand Dipeptide Chains: Synthesis and Structural Characterization
• Authors of publication: Toshiyuki Moriuchi; Akihiro Nomoto; Kazuhiro Yoshida; Akiya Ogawa; Toshikazu Hirao
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2001
• Journal volume: 123
• Pages of publication: 68 - 75
• a: 9.294 ± 0.001 Å
• b: 11.783 ± 0.001 Å
• c: 8.924 ± 0.001 Å
• α: 98.65 ± 0.01°
• β: 116.481 ± 0.009°
• γ: 81.41 ± 0.01°
• Cell volume: 861.05 ± 0.17 ų
• Cell temperature: 296.2 K
• Number of distinct elements: 5
• Space group number: 1
• Hermann-Mauguin space group symbol: P 1
• Hall space group symbol: P 1
• Residual factor for significantly intense reflections: 0.0387
• Weighted residual factors for all reflections included in the refinement: 0.0302
• Goodness-of-fit parameter for all reflections included in the refinement: 3.228
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No