Information card for entry 4115411

Structure parameters

• Formula: C38 H42 Fe N4 O8
• Calculated formula: C38 H42 Fe N4 O8
• SMILES: [c]12([cH]3[cH]4[cH]5[Fe]6789134([c]1([cH]6[cH]7[cH]8[cH]91)C(=O)NCC(=O)N[C@H](C(=O)OCC)Cc1ccccc1)[cH]25)C(=O)NCC(=O)N[C@H](C(=O)OCC)Cc1ccccc1
• 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: 10.8188 ± 0.0007 Å
• b: 21.434 ± 0.001 Å
• c: 16.306 ± 0.001 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3781.2 ± 0.4 ų
• Cell temperature: 296.2 K
• Number of distinct elements: 5
• Space group number: 20
• Hermann-Mauguin space group symbol: C 2 2 21
• Hall space group symbol: C 2c 2
• Residual factor for significantly intense reflections: 0.0555
• Weighted residual factors for all reflections included in the refinement: 0.0586
• Goodness-of-fit parameter for all reflections included in the refinement: 2.246
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No