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Information card for entry 7211348
Preview
Coordinates | 7211348.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C11 H0 O2 S4 |
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Calculated formula | C11 O2 S4 |
SMILES | C(=O)(C1=CSC(=C2Sc4c(cccc4)S2)S1)O |
Title of publication | Solid state photodimerisation of tetrathiafulvalene derivatives bearing carboxylate and carboxylic acid substituents |
Authors of publication | Simao, Claudia; Mas-Torrent, Marta; André, Vânia; Teresa Duarte, M.; Techert, Simone; Veciana, Jaume; Rovira, Concepció |
Journal of publication | CrystEngComm |
Year of publication | 2013 |
Journal volume | 15 |
Journal issue | 46 |
Pages of publication | 9878 |
a | 3.848 ± 0.006 Å |
b | 11.006 ± 0.009 Å |
c | 26.045 ± 0.008 Å |
α | 99.47 ± 0.03° |
β | 90° |
γ | 90° |
Cell volume | 1088 ± 1.9 Å3 |
Cell temperature | 150 ± 2 K |
Ambient diffraction temperature | 150 ± 2 K |
Number of distinct elements | 4 |
Space group number | 14 |
Hermann-Mauguin space group symbol | P 21/b 1 1 |
Hall space group symbol | -P 2xab |
Residual factor for all reflections | 0.2531 |
Residual factor for significantly intense reflections | 0.1432 |
Weighted residual factors for significantly intense reflections | 0.3231 |
Weighted residual factors for all reflections included in the refinement | 0.3774 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.069 |
Diffraction radiation wavelength | 0.71069 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/7211348.html
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