Information card for entry 4115409

Structure parameters

• Formula: C32 H42 Fe N4 O8
• Calculated formula: C32 H42 Fe N4 O8
• SMILES: O=C(N1[C@@H](C(=O)OCC)CCC1)[C@H](NC(=O)[c]12[Fe]3456789([c]%10([cH]3[cH]5[cH]7[cH]9%10)C(=O)N[C@@H](C(=O)N3[C@@H](C(=O)OCC)CCC3)C)[cH]1[cH]4[cH]6[cH]28)C
• 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: 14.573 ± 0.002 Å
• b: 14.5731 Å
• c: 14.953 ± 0.002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3175.6 ± 0.6 ų
• Cell temperature: 296.2 K
• Number of distinct elements: 5
• Space group number: 80
• Hermann-Mauguin space group symbol: I 41
• Hall space group symbol: I 4bw
• Residual factor for significantly intense reflections: 0.0515
• Weighted residual factors for all reflections included in the refinement: 0.0365
• Goodness-of-fit parameter for all reflections included in the refinement: 3.036
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No