Information card for entry 7015350

Structure parameters

• Common name: 1'-(fluorenylmethoxycarbonylamino)-ferrocene-1-carboxylic acid methyl ester
• Chemical name: 1'-(fluorenylmethoxycarbonylamino)-ferrocene-1-carboxylic acid methyl ester
• Formula: C27 H23 Fe N O4
• Calculated formula: C27 H23 Fe N O4
• SMILES: [Fe]12345678([cH]9[cH]4[cH]5[cH]2[c]19NC(=O)OCC1c2c(cccc2)c2c1cccc2)[cH]1[cH]6[cH]8[cH]3[c]71C(=O)OC
• Title of publication: Redox-responsive organometallic foldamers from ferrocene amino acid: solid-phase synthesis, secondary structure and mixed-valence properties.
• Authors of publication: Siebler, Daniel; Förster, Christoph; Heinze, Katja
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2011
• Journal volume: 40
• Journal issue: 14
• Pages of publication: 3558 - 3575
• a: 10.5978 ± 0.0005 Å
• b: 13.1099 ± 0.0006 Å
• c: 17.8502 ± 0.0008 Å
• α: 82.684 ± 0.001°
• β: 74.957 ± 0.001°
• γ: 66.876 ± 0.001°
• Cell volume: 2201.72 ± 0.18 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.064
• Residual factor for significantly intense reflections: 0.0361
• Weighted residual factors for significantly intense reflections: 0.0795
• Weighted residual factors for all reflections included in the refinement: 0.0881
• Goodness-of-fit parameter for all reflections included in the refinement: 0.9
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No