Information card for entry 8000088

Structure parameters

• Formula: C44 H38 Fe O12
• Calculated formula: C44 H38 Fe O12
• Title of publication: A Novel Molecular Structure of a Ferrocene Derivative Containing Mesogenic Group, 1,1′-Bis[2-[4-(4-methoxyphenoxycarbonyl)phenoxy]ethoxycarbonyl]ferrocene
• Authors of publication: Nakamura, Naotake; Nishikawa, Masako
• Journal of publication: Chemistry Letters
• Year of publication: 2005
• Journal volume: 34
• Journal issue: 11
• Pages of publication: 1544
• a: 27.701 ± 0.004 Å
• b: 9.011 ± 0.002 Å
• c: 15.172 ± 0.004 Å
• α: 90°
• β: 98.781 ± 0.016°
• γ: 90°
• Cell volume: 3742.8 ± 1.4 ų
• Cell temperature: 296.1 K
• Number of distinct elements: 4
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for significantly intense reflections: 0.0363
• Weighted residual factors for all reflections included in the refinement: 0.0684
• Goodness-of-fit parameter for all reflections included in the refinement: 1.016
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No