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Information card for entry 4500341
Preview
Coordinates | 4500341.cif |
---|---|
Original paper (by DOI) | HTML |
Chemical name | 1,2-Bis(2-methoxy-5-phenyl-3-thienyl)perfluorocyclopentene (1a) |
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Formula | C27 H18 F6 O2 S2 |
Calculated formula | C27 H18 F6 O2 S2 |
SMILES | s1c(c(cc1c1ccccc1)C1=C(C(F)(F)C(F)(F)C1(F)F)c1c(sc(c1)c1ccccc1)OC)OC |
Title of publication | High-Convertible Photochromism of a Diarylethene Single Crystal Accompanying the Crystal Shape Deformation |
Authors of publication | Kobatake, Seiya; Hasegawa, Hiroki; Miyamura, Kentaro |
Journal of publication | Crystal Growth & Design |
Year of publication | 2011 |
Journal volume | 11 |
Journal issue | 4 |
Pages of publication | 1223 |
a | 19.381 ± 0.003 Å |
b | 11.5405 ± 0.0015 Å |
c | 21.545 ± 0.003 Å |
α | 90° |
β | 93.601 ± 0.002° |
γ | 90° |
Cell volume | 4809.4 ± 1.2 Å3 |
Cell temperature | 133 ± 2 K |
Ambient diffraction temperature | 133 ± 2 K |
Number of distinct elements | 5 |
Space group number | 14 |
Hermann-Mauguin space group symbol | P 1 21/c 1 |
Hall space group symbol | -P 2ybc |
Residual factor for all reflections | 0.0519 |
Residual factor for significantly intense reflections | 0.0335 |
Weighted residual factors for significantly intense reflections | 0.082 |
Weighted residual factors for all reflections included in the refinement | 0.0887 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.007 |
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/4500341.html
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