Crystallography Open Database

Information card for entry 1555338

Preview

Coordinates	1555338.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C17 H20 O3
Calculated formula	C17 H20 O3
SMILES	O1c2c(c(O)cc(c2)C)[C@H]2[C@@H]3[C@](C2)(C(=O)CC[C@]13C)C.O1c2c(c(O)cc(c2)C)[C@@H]2[C@H]3[C@@](C2)(C(=O)CC[C@@]13C)C
Title of publication	Two Enantiomeric Pairs of Meroterpenoids from Rhododendron capitatum.
Authors of publication	Liao, Hai-Bing; Lei, Chun; Gao, Li-Xin; Li, Jing-Ya; Li, Jia; Hou, Ai-Jun
Journal of publication	Organic letters
Year of publication	2015
Journal volume	17
Journal issue	20
Pages of publication	5040 - 5043
a	8.0539 ± 0.0001 Å
b	9.0826 ± 0.0001 Å
c	9.9175 ± 0.0001 Å
α	102.862 ± 0.001°
β	97.071 ± 0.001°
γ	96.384 ± 0.001°
Cell volume	694.648 ± 0.014 Å³
Cell temperature	296 ± 2 K
Ambient diffraction temperature	296 ± 2 K
Number of distinct elements	3
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0441
Residual factor for significantly intense reflections	0.0426
Weighted residual factors for significantly intense reflections	0.1205
Weighted residual factors for all reflections included in the refinement	0.1234
Goodness-of-fit parameter for all reflections included in the refinement	1.063
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
238509 (current)	2019-11-24	cif/ Adding structures of 1555338 via cif-deposit CGI script.	1555338.cif