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Information card for entry 4505403
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Coordinates | 4505403.cif |
---|---|
Original paper (by DOI) | HTML |
Common name | 02102 |
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Formula | C19.5 H20 Cl2 N2 O2 |
Calculated formula | C19.5 H20 Cl2 N2 O2 |
Title of publication | Isostructurality among Five Solvates of Phenylbutazone |
Authors of publication | Hosokawa, Toshihito; Datta, Sharmistha; Sheth, Agam R.; Brooks, Neil R.; Young, Jr., Victor G.; Grant, David J. W. |
Journal of publication | Crystal Growth & Design |
Year of publication | 2004 |
Journal volume | 4 |
Journal issue | 6 |
Pages of publication | 1195 - 1201 |
a | 25.263 ± 0.005 Å |
b | 5.6455 ± 0.0011 Å |
c | 27.459 ± 0.005 Å |
α | 90° |
β | 99.117 ± 0.004° |
γ | 90° |
Cell volume | 3866.8 ± 1.3 Å3 |
Cell temperature | 173 ± 2 K |
Ambient diffraction temperature | 173 ± 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 | 0.0851 |
Residual factor for significantly intense reflections | 0.0452 |
Weighted residual factors for significantly intense reflections | 0.1003 |
Weighted residual factors for all reflections included in the refinement | 0.12 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.012 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | Yes |
Has Fobs | No |
For the version history of this entry, please navigate to main COD server.
The link is: https://www.crystallography.net/4505403.html
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