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Information card for entry 7218161
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Coordinates | 7218161.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C25 H22 Cl N4 O6 S |
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Calculated formula | C25 H22 Cl N4 O6 S |
Title of publication | A robust two-dimensional hydrogen-bonded network for the predictable assembly of ternary co-crystals of furosemide |
Authors of publication | Srirambhatla, Vijay K.; Kraft, Arno; Watt, Stephen; Powell, Anthony V. |
Journal of publication | CrystEngComm |
Year of publication | 2014 |
Journal volume | 16 |
Journal issue | 43 |
Pages of publication | 9979 |
a | 6.9302 ± 0.0004 Å |
b | 9.9356 ± 0.0006 Å |
c | 18.6298 ± 0.0011 Å |
α | 83.633 ± 0.003° |
β | 89.624 ± 0.003° |
γ | 72.794 ± 0.003° |
Cell volume | 1217.34 ± 0.13 Å3 |
Cell temperature | 100 K |
Ambient diffraction temperature | 100 K |
Number of distinct elements | 6 |
Space group number | 2 |
Hermann-Mauguin space group symbol | P -1 |
Hall space group symbol | -P 1 |
Residual factor for all reflections | 0.0543 |
Residual factor for significantly intense reflections | 0.0436 |
Weighted residual factors for all reflections | 0.0477 |
Weighted residual factors for significantly intense reflections | 0.0366 |
Weighted residual factors for all reflections included in the refinement | 0.0366 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.0981 |
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/7218161.html
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Users of the data should acknowledge the original authors of the
structural data.