Crystallography Open Database

Information card for entry 8107039

Preview

Coordinates	8107039.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C22 H30 O6
Calculated formula	C22 H30 O6
Title of publication	Crystal structure of 1α,7β-dihydroxy-11β-acetoxy-ent-7β,20-epoxykaur-16-en-15-one, C22H30O6
Authors of publication	Liu, Ya-Hua; Zhang, Jing-Jie; Ye, Jiang-Hai; Zhao, Chen-Liang; Pan, Lu-Tai
Journal of publication	Zeitschrift für Kristallographie - New Crystal Structures
Year of publication	2016
Journal volume	231
Journal issue	3
Pages of publication	891 - 892
a	5.979 ± 0.004 Å
b	16.735 ± 0.012 Å
c	20.323 ± 0.015 Å
α	90°
β	90°
γ	90°
Cell volume	2033 ± 2 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 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	0.0888
Residual factor for significantly intense reflections	0.0498
Weighted residual factors for significantly intense reflections	0.1052
Weighted residual factors for all reflections included in the refinement	0.1209
Goodness-of-fit parameter for all reflections included in the refinement	0.991
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

For the version history of this entry, please navigate to main COD server.
The link is: https://www.crystallography.net/8107039.html