Crystallography Open Database

Information card for entry 7221958

7221957 << 7221958 >> 7221959

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Coordinates	7221958.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	Icariin
Formula	C66 H80 O32
Calculated formula	C66 H80 O32
Title of publication	Versatile solid modifications of icariin: structure, properties and form transformation
Authors of publication	Jia, Lina; Zhang, Qi; Wang, Jian-Rong; Mei, Xuefeng
Journal of publication	CrystEngComm
Year of publication	2015
Journal volume	17
Journal issue	39
Pages of publication	7500
a	9.6738 ± 0.0002 Å
b	22.7931 ± 0.0005 Å
c	30.9469 ± 0.0006 Å
α	90°
β	90°
γ	90°
Cell volume	6823.7 ± 0.2 Å³
Cell temperature	296 ± 2 K
Ambient diffraction temperature	296 ± 2 K
Number of distinct elements	3
Space group number	19
Hermann-Mauguin space group symbol	P 21 21 21
Hall space group symbol	P 2ac 2ab
Residual factor for all reflections	0.0629
Residual factor for significantly intense reflections	0.0479
Weighted residual factors for significantly intense reflections	0.1138
Weighted residual factors for all reflections included in the refinement	0.1241
Goodness-of-fit parameter for all reflections included in the refinement	1.026
Diffraction radiation wavelength	1.54178 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
171029 (current)	2015-12-09	cif/ Updating files of 7221958, 7221959, 7221960, 7221961, 7221962, 7221963, 7221964, 7221965, 7221966 Original log message: Adding full bibliography for 7221958--7221966.cif.	7221958.cif
153863	2015-09-01	cif/ Adding structures of 7221958, 7221959, 7221960, 7221961, 7221962, 7221963, 7221964, 7221965, 7221966 via cif-deposit CGI script.	7221958.cif