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Information card for entry 4504157
Preview
Coordinates | 4504157.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C10.5 H15 N O1.5 S2 |
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Calculated formula | C10.5 H15 N O1.5 S2 |
SMILES | S1C(C(=O)NC1=S)=C1CCCCCC1.OC |
Title of publication | The Influence of 5-Substituents on the Supramolecular Structures of Rhodanine Derivatives |
Authors of publication | Barreiro, Elena; Casas, José S.; Couce, María D.; Sánchez, Agustín; Sordo, José; Varela, José M.; Vázquez-López, Ezequiel M. |
Journal of publication | Crystal Growth & Design |
Year of publication | 2007 |
Journal volume | 7 |
Journal issue | 10 |
Pages of publication | 1964 |
a | 23.485 ± 0.003 Å |
b | 26.55 ± 0.003 Å |
c | 7.9344 ± 0.001 Å |
α | 90° |
β | 97.379 ± 0.003° |
γ | 90° |
Cell volume | 4906.3 ± 1 Å3 |
Cell temperature | 293 ± 2 K |
Ambient diffraction temperature | 293 ± 2 K |
Number of distinct elements | 5 |
Space group number | 15 |
Hermann-Mauguin space group symbol | C 1 2/c 1 |
Hall space group symbol | -C 2yc |
Residual factor for all reflections | 0.2642 |
Residual factor for significantly intense reflections | 0.0483 |
Weighted residual factors for significantly intense reflections | 0.0673 |
Weighted residual factors for all reflections included in the refinement | 0.1015 |
Goodness-of-fit parameter for all reflections included in the refinement | 0.776 |
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/4504157.html
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Users of the data should acknowledge the original authors of the
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