Information card for entry 1544181

Structure parameters

• Formula: C26 H33 Fe N2 O8
• Calculated formula: C26 H33 Fe N2 O8
• SMILES: [Fe]12345678([cH]9[cH]1[cH]2[cH]3[cH]49)[cH]1[cH]5[cH]6[cH]7[c]81C(=O)OCCNC(=O)[C@H]1O[C@@H]2OC(C)(C)O[C@@H]2[C@@H]1NC(=O)OC(C)(C)C
• Title of publication: Synthesis of ferrocene amides and esters from aminoferrocene and 2-substituted ferrocenecarboxylic acid and properties thereof
• Authors of publication: Srinivas, Palabindela; Prabhakar, Sunchu; Chevallier, Floris; Nassar, Ekhlass; Erb, William; Dorcet, Vincent; Jouikov, Viatcheslav; Radha Krishna, Palakodety; Mongin, Florence
• Journal of publication: New J. Chem.
• Year of publication: 2016
• Journal volume: 40
• Journal issue: 11
• Pages of publication: 9441
• a: 9.2335 ± 0.0005 Å
• b: 11.214 ± 0.0005 Å
• c: 25.4777 ± 0.0013 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2638.1 ± 0.2 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 5
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.1327
• Residual factor for significantly intense reflections: 0.1015
• Weighted residual factors for significantly intense reflections: 0.2636
• Weighted residual factors for all reflections included in the refinement: 0.2942
• Goodness-of-fit parameter for all reflections included in the refinement: 1.037
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No