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Information card for entry 2104005
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Coordinates | 2104005.cif |
---|---|
Original IUCr paper | HTML |
Common name | BMTE |
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Chemical name | E-1,2-bis(3-methoxy-2-thienyl)ethene |
Formula | C12 H12 O2 S2 |
Calculated formula | C12 H12 O2 S2 |
Title of publication | Molecular and crystal properties of <i>E</i>-1,2-bis(3-methoxy-2-thienyl)ethene: static disorder in the crystal |
Authors of publication | Blockhuys, Frank; Vande Velde, Christophe M. L.; Maes, Stefan T.; Peten, Carl; Geise, Herman J.; Van Alsenoy, Christian; Lenstra, Albert T. H. |
Journal of publication | Acta Crystallographica Section B |
Year of publication | 2003 |
Journal volume | 59 |
Journal issue | 6 |
Pages of publication | 770 - 778 |
a | 7.864 ± 0.001 Å |
b | 11.662 ± 0.001 Å |
c | 13.218 ± 0.001 Å |
α | 90 ± 0.002° |
β | 90 ± 0.002° |
γ | 90 ± 0.002° |
Cell volume | 1212.2 ± 0.2 Å3 |
Cell temperature | 223 ± 2 K |
Ambient diffraction temperature | 223 ± 2 K |
Number of distinct elements | 4 |
Space group number | 61 |
Hermann-Mauguin space group symbol | P b c a |
Hall space group symbol | -P 2ac 2ab |
Residual factor for all reflections | 0.1529 |
Residual factor for significantly intense reflections | 0.0523 |
Weighted residual factors for significantly intense reflections | 0.106 |
Weighted residual factors for all reflections included in the refinement | 0.1433 |
Goodness-of-fit parameter for all reflections included in the refinement | 0.939 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | Yes |
Has Fobs | No |
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