Information card for entry 7016030

Structure parameters

• Formula: C24 H31 Fe N O4
• Calculated formula: C24 H31 Fe N O4
• SMILES: [Fe]123456789[c]%10([cH]1[cH]2[cH]3[cH]4%10)C(C)CC1[c]25[c]6([cH]7[cH]8[c]92CCCN1C(=O)OC(C)(C)C)C(=O)OC
• Title of publication: Unusual carbamate-directed CH-activation at an annulated ferrocenophane framework.
• Authors of publication: Voss, Tanja; Kehr, Gerald; Fröhlich, Roland; Erker, Gerhard
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2011
• Journal volume: 40
• Journal issue: 26
• Pages of publication: 6984 - 6991
• a: 17.2035 ± 0.0004 Å
• b: 65.6989 ± 0.0016 Å
• c: 7.8148 ± 0.0002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 8832.7 ± 0.4 ų
• Cell temperature: 223 ± 2 K
• Ambient diffraction temperature: 223 ± 2 K
• Number of distinct elements: 5
• Space group number: 43
• Hermann-Mauguin space group symbol: F d d 2
• Hall space group symbol: F 2 -2d
• Residual factor for all reflections: 0.0662
• Residual factor for significantly intense reflections: 0.055
• Weighted residual factors for significantly intense reflections: 0.1294
• Weighted residual factors for all reflections included in the refinement: 0.1382
• Goodness-of-fit parameter for all reflections included in the refinement: 1.062
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No