Crystallography Open Database

Information card for entry 1546098

Preview

Coordinates	1546098.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C20 H30 O9
Calculated formula	C20 H30 O9
SMILES	[C@]12([C@](CC[C@@]1([C@]1([C@]3([C@]4([C@@]2([C@@H]1[C@@]1([C@@]4(C)O[C@@](C3)(C(C)C)O1)O)O)O)O)C)O)(C)O)O
Title of publication	Cinnamomols A and B, Immunostimulative Diterpenoids with a New Carbon Skeleton from the Leaves of Cinnamomum cassia.
Authors of publication	Zhou, Lei; Tuo, Yali; Hao, Yi; Guo, Xiaoman; Tang, Wei; Xue, Yongbo; Zeng, Junfen; Zhou, Yu; Xiang, Ming; Zuo, Jianping; Yao, Guangmin; Zhang, Yonghui
Journal of publication	Organic letters
Year of publication	2017
Journal volume	19
Journal issue	11
Pages of publication	3029 - 3032
a	18.6492 ± 0.0019 Å
b	18.6492 ± 0.0019 Å
c	12.5645 ± 0.0015 Å
α	90°
β	90°
γ	120°
Cell volume	3784.4 ± 0.7 Å³
Cell temperature	298 ± 2 K
Ambient diffraction temperature	298 ± 2 K
Number of distinct elements	3
Space group number	170
Hermann-Mauguin space group symbol	P 65
Hall space group symbol	P 65
Residual factor for all reflections	0.0312
Residual factor for significantly intense reflections	0.0306
Weighted residual factors for significantly intense reflections	0.083
Weighted residual factors for all reflections included in the refinement	0.0837
Goodness-of-fit parameter for all reflections included in the refinement	1.043
Diffraction radiation wavelength	1.54178 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
197507 (current)	2017-06-05	cif/ Updating files of 1546098, 1546099 Original log message: Adding full bibliography for 1546098--1546099.cif.	1546098.cif
196911	2017-05-24	cif/ Adding structures of 1546098 via cif-deposit CGI script.	1546098.cif