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Information card for entry 1549727
Preview
Coordinates | 1549727.cif |
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Original paper (by DOI) | HTML |
Formula | C21 H20 O2 S2 |
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Calculated formula | C21 H20 O2 S2 |
SMILES | S(c1ccc(/C=C/C(=O)/C=C(O)/C=C/c2ccc(SC)cc2)cc1)C |
Title of publication | Electric-field induced bistability in single-molecule conductance measurements for boron coordinated curcuminoid compounds. |
Authors of publication | Olavarría-Contreras, Ignacio José; Etcheverry-Berríos, Alvaro; Qian, Wenjie; Gutiérrez-Cerón, Cristian; Campos-Olguín, Aldo; Sañudo, E Carolina; Dulić, Diana; Ruiz, Eliseo; Aliaga-Alcalde, Núria; Soler, Monica; van der Zant, Herre S. J. |
Journal of publication | Chemical science |
Year of publication | 2018 |
Journal volume | 9 |
Journal issue | 34 |
Pages of publication | 6988 - 6996 |
a | 13.7982 ± 0.0005 Å |
b | 5.5253 ± 0.0002 Å |
c | 24.9052 ± 0.0008 Å |
α | 90° |
β | 103.39 ± 0.002° |
γ | 90° |
Cell volume | 1847.14 ± 0.11 Å3 |
Cell temperature | 296 ± 2 K |
Ambient diffraction temperature | 296 ± 2 K |
Number of distinct elements | 4 |
Space group number | 14 |
Hermann-Mauguin space group symbol | P 1 21/n 1 |
Hall space group symbol | -P 2yn |
Residual factor for all reflections | 0.0654 |
Residual factor for significantly intense reflections | 0.0432 |
Weighted residual factors for significantly intense reflections | 0.1213 |
Weighted residual factors for all reflections included in the refinement | 0.1555 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.124 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
For the version history of this entry, please navigate to main COD server.
The link is: https://www.crystallography.net/1549727.html
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Users of the data should acknowledge the original authors of the
structural data.