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Information card for entry 4516443
Preview
Coordinates | 4516443.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C11 H22 N4 O4 S |
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Calculated formula | C11 H22 N4 O4 S |
SMILES | S=C(NC(=[NH2+])N)N.O=C([O-])CCCCCCCC(=O)O |
Title of publication | Diversity in Supramolecular Solid-State Architecture Formed by Self-Assembly of 1-(Diaminomethylene)thiourea and Aliphatic Dicarboxylic Acids |
Authors of publication | Janczak, Jan |
Journal of publication | Crystal Growth & Design |
Year of publication | 2015 |
Journal volume | 15 |
Journal issue | 10 |
Pages of publication | 5097 |
a | 5.3064 ± 0.0012 Å |
b | 9.9344 ± 0.0016 Å |
c | 14.382 ± 0.002 Å |
α | 92.733 ± 0.013° |
β | 99.956 ± 0.016° |
γ | 93.509 ± 0.016° |
Cell volume | 744 ± 0.2 Å3 |
Cell temperature | 295 ± 2 K |
Ambient diffraction temperature | 295 ± 2 K |
Number of distinct elements | 5 |
Space group number | 2 |
Hermann-Mauguin space group symbol | P -1 |
Hall space group symbol | -P 1 |
Residual factor for all reflections | 0.2396 |
Residual factor for significantly intense reflections | 0.0655 |
Weighted residual factors for significantly intense reflections | 0.1026 |
Weighted residual factors for all reflections included in the refinement | 0.1405 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.016 |
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/4516443.html
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structural data.