Crystallography Open Database

Information card for entry 2003564

2003563 << 2003564 >> 2003565

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Coordinates	2003564.cif
Original IUCr paper	HTML

Structure parameters

Common name	Berberine chloride ethanol solvate hemihydrate
Formula	C22 H25 Cl N O5.5
Calculated formula	C22 H25 Cl N O5.5
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	7.3712 ± 0.001 Å
b	11.2724 ± 0.001 Å
c	13.3998 ± 0.001 Å
α	77.587 ± 0.007°
β	73.299 ± 0.007°
γ	78.228 ± 0.008°
Cell volume	1029.4 ± 0.19 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	0.126
Residual factor for significantly intense reflections	0.0562
Weighted residual factors for all reflections	0.1879
Weighted residual factors for significantly intense reflections	0.1534
Goodness-of-fit parameter for all reflections	0.99
Goodness-of-fit parameter for significantly intense reflections	1.302
Diffraction radiation wavelength	0.71069 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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