Information card for entry 7150209

Structure parameters

• Formula: C26 H38 Fe N4 O6
• Calculated formula: C26 H38 Fe N4 O6
• SMILES: C(=O)(N[C@H](C(=O)N[c]12[cH]3[Fe]4567891([c]1([cH]4[cH]5[cH]7[cH]91)NC(=O)[C@H](C)NC(=O)OC(C)(C)C)[cH]3[cH]6[cH]28)C)OC(C)(C)C
• Title of publication: Amino acid conjugates of 1,1'-diaminoferrocene. Synthesis and chiral organization.
• Authors of publication: Chowdhury, Somenath; Mahmoud, Khaled A.; Schatte, Gabriele; Kraatz, Heinz-Bernhard
• Journal of publication: Organic & biomolecular chemistry
• Year of publication: 2005
• Journal volume: 3
• Journal issue: 16
• Pages of publication: 3018 - 3023
• a: 15.479 ± 0.0003 Å
• b: 9.342 ± 0.0003 Å
• c: 11.04 ± 0.0003 Å
• α: 90°
• β: 117.071 ± 0.002°
• γ: 90°
• Cell volume: 1421.54 ± 0.07 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 5
• Space group number: 5
• Hermann-Mauguin space group symbol: C 1 2 1
• Hall space group symbol: C 2y
• Residual factor for all reflections: 0.0432
• Residual factor for significantly intense reflections: 0.0346
• Weighted residual factors for significantly intense reflections: 0.0717
• Weighted residual factors for all reflections included in the refinement: 0.0753
• Goodness-of-fit parameter for all reflections included in the refinement: 1.069
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No