Information card for entry 4075720

Structure parameters

• Formula: C22 H36 Fe N2 O4
• Calculated formula: C22 H32 Fe N2 O4
• SMILES: C1COCCN1CC[c]12[cH]3[cH]4[cH]5[cH]1[Fe]16782345[c]2([cH]8[cH]7[cH]6[cH]12)CCN1CCOCC1.O.O
• Title of publication: One-Pot Synthesis of 1,1‘-Bis(2-amino)ethyl-Substituted Ferrocenes from the Reaction of Spiro[2.4]hepta-4,6-diene with Lithium Amides: An Expedient Route into Functionalized Ferrocenophanes
• Authors of publication: Joly, Kévin M.; Kariuki, Benson M.; Coe, Diane M.; Cox, Liam R.
• Journal of publication: Organometallics
• Year of publication: 2005
• Journal volume: 24
• Journal issue: 3
• Pages of publication: 358
• a: 19.448 ± 0.003 Å
• b: 12.5409 ± 0.0015 Å
• c: 9.3747 ± 0.0012 Å
• α: 90°
• β: 102.798 ± 0.008°
• γ: 90°
• Cell volume: 2229.6 ± 0.5 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 5
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0664
• Residual factor for significantly intense reflections: 0.0524
• Weighted residual factors for significantly intense reflections: 0.1404
• Weighted residual factors for all reflections included in the refinement: 0.171
• Goodness-of-fit parameter for all reflections included in the refinement: 1.076
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No