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Information card for entry 4303622
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Coordinates | 4303622.cif |
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Original paper (by DOI) | HTML |
Common name | cortisone, Ca2+ complex |
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Chemical name | Pregn-4-ene-3,11,20-trione, 17,21-dihydroxy- (7CI,9CI), Ca complex |
Formula | C46 H76 Ca Cl2 O16 |
Calculated formula | C46 H72 Ca Cl2 O16 |
Title of publication | Calcium Complexation by Corticosteroids |
Authors of publication | Melanie R. Hauser; Kenneth M. Doxsee; Håkon Hope |
Journal of publication | Inorganic Chemistry |
Year of publication | 2009 |
Journal volume | 48 |
Pages of publication | 10780 - 10788 |
a | 9.715 ± 0.005 Å |
b | 32.469 ± 0.007 Å |
c | 16 ± 0.005 Å |
α | 90° |
β | 90° |
γ | 90° |
Cell volume | 5047 ± 3 Å3 |
Cell temperature | 292 K |
Ambient diffraction temperature | 292 K |
Number of distinct elements | 5 |
Space group number | 20 |
Hermann-Mauguin space group symbol | C 2 2 21 |
Hall space group symbol | C 2c 2 |
Residual factor for all reflections | 0.097 |
Residual factor for significantly intense reflections | 0.064 |
Weighted residual factors for all reflections | 0.102 |
Weighted residual factors for all reflections included in the refinement | 0.049 |
Goodness-of-fit parameter for all reflections | 1.68 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.79 |
Diffraction radiation wavelength | 0.71069 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/4303622.html
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Users of the data should acknowledge the original authors of the
structural data.