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Information card for entry 2008934
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Coordinates | 2008934.cif |
---|---|
Original IUCr paper | HTML |
Chemical name | Bis{4,4'-[di-(2-carbomethoxy-5-thienyl)]} phenyl ether |
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Formula | C24 H18 O5 S2 |
Calculated formula | C24 H18 O5 S2 |
SMILES | COC(=O)c1ccc(s1)c1ccc(cc1)Oc1ccc(cc1)c1ccc(s1)C(=O)OC |
Title of publication | Bis[4-(2-methoxycarbonyl-5-thienyl)]phenyl ether |
Authors of publication | S.Shanmuga Sundara Raj; Hoong-Kun Fun; Susmita Gupta; Jayanta Kumar Ray |
Journal of publication | Acta Crystallographica Section C |
Year of publication | 1999 |
Journal volume | 55 |
Journal issue | 9 |
Pages of publication | 1517 - 1519 |
a | 7.3785 ± 0.0002 Å |
b | 47.9241 ± 0.001 Å |
c | 5.9069 ± 0.0002 Å |
α | 90° |
β | 90° |
γ | 90° |
Cell volume | 2088.73 ± 0.1 Å3 |
Cell temperature | 293 ± 2 K |
Ambient diffraction temperature | 293 ± 2 K |
Number of distinct elements | 4 |
Space group number | 41 |
Hermann-Mauguin space group symbol | A b a 2 |
Hall space group symbol | A 2 -2ab |
Residual factor for all reflections | 0.0369 |
Residual factor for significantly intense reflections | 0.0304 |
Weighted residual factors for all reflections included in the refinement | 0.0952 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.083 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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The link is: https://www.crystallography.net/2008934.html
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