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Information card for entry 2003563
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Coordinates | 2003563.cif |
---|---|
Original IUCr paper | HTML |
Common name | Berberine Chloride tetrahydrate |
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Formula | C20 H26 Cl N O8 |
Calculated formula | C20 H26 Cl N O8 |
SMILES | c12c(cc3c(c1)CC[n+]1c3cc3c(c1)c(OC)c(OC)cc3)OCO2.O.O.O.O.[Cl-] |
Title of publication | Five Salts of Berberine |
Authors of publication | Kariuki, B. M.; Jones, W. |
Journal of publication | Acta Crystallographica Section C |
Year of publication | 1995 |
Journal volume | 51 |
Journal issue | 6 |
Pages of publication | 1234 - 1240 |
a | 7.029 ± 0.002 Å |
b | 11.598 ± 0.003 Å |
c | 13.172 ± 0.02 Å |
α | 103.85 ± 0.02° |
β | 89.14 ± 0.02° |
γ | 95.87° |
Cell volume | 1037.1 ± 1.6 Å3 |
Cell temperature | 293 ± 2 K |
Ambient diffraction temperature | 293 ± 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 | 0.1273 |
Residual factor for significantly intense reflections | 0.0701 |
Weighted residual factors for all reflections | 0.2214 |
Weighted residual factors for significantly intense reflections | 0.1947 |
Goodness-of-fit parameter for all reflections | 0.98 |
Goodness-of-fit parameter for significantly intense reflections | 1.238 |
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/2003563.html
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Users of the data should acknowledge the original authors of the
structural data.