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Information card for entry 2300209
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Coordinates | 2300209.cif |
---|---|
Original IUCr paper | HTML |
Formula | C46 H42 Fe O12 |
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Calculated formula | C46 H42 Fe O12 |
SMILES | [Fe]12345678([c]9([cH]1[cH]2[cH]3[cH]49)C(=O)OCCCOc1ccc(cc1)C(=O)Oc1ccc(OC)cc1)[c]1([cH]5[cH]6[cH]7[cH]81)C(=O)OCCCOc1ccc(cc1)C(=O)Oc1ccc(cc1)OC |
Title of publication | Synthesis and physical properties of ferrocene derivatives. XXI. Crystal structure of a liquid crystalline ferrocene derivative, 1,1'-bis[3-[4-(4-methoxyphenoxycarbonyl)phenoxy]propyloxycarbonyl]ferrocene |
Authors of publication | Okabe, Takashi; Nakazaki, Keisuke; Igaue, Tsuyoshi; Nakamura, Naotake; Donnio, Bertrand; Guillon, Daniel; Gallani, Jean-Louis |
Journal of publication | Journal of Applied Crystallography |
Year of publication | 2009 |
Journal volume | 42 |
Journal issue | 1 |
Pages of publication | 63 - 68 |
a | 5.857 ± 0.004 Å |
b | 24.105 ± 0.003 Å |
c | 14.069 ± 0.004 Å |
α | 90° |
β | 93.15 ± 0.04° |
γ | 90° |
Cell volume | 1983.3 ± 1.5 Å3 |
Cell temperature | 294 ± 2 K |
Number of distinct elements | 4 |
Space group number | 4 |
Hermann-Mauguin space group symbol | P 1 21 1 |
Hall space group symbol | P 2yb |
Residual factor for significantly intense reflections | 0.0382 |
Weighted residual factors for all reflections included in the refinement | 0.0983 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.052 |
Diffraction radiation wavelength | 1.54178 Å |
Diffraction radiation type | CuKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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