Crystallography Open Database

Information card for entry 1553375

Preview

Structure parameters

Formula	C18 H26 O3
Calculated formula	C18 H26 O3
SMILES	O1[C@@]2(C[C@@H]([C@@H](CC2)C(OC)(C)C)c2c(cc(O)cc12)C)C
Title of publication	Enantiomeric Pairs of Meroterpenoids with Diverse Heterocyclic Systems from Rhododendron nyingchiense.
Authors of publication	Huang, Guang-Hui; Hu, Zhu; Lei, Chun; Wang, Pei-Pei; Yang, Jing; Li, Jing-Ya; Li, Jia; Hou, Ai-Jun
Journal of publication	Journal of natural products
Year of publication	2018
Journal volume	81
Journal issue	8
Pages of publication	1810 - 1818
a	10.1815 ± 0.0002 Å
b	10.1849 ± 0.0002 Å
c	15.7912 ± 0.0003 Å
α	90°
β	90°
γ	90°
Cell volume	1637.51 ± 0.06 Å³
Cell temperature	296 ± 2 K
Ambient diffraction temperature	296.15 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	0.042
Residual factor for significantly intense reflections	0.0413
Weighted residual factors for significantly intense reflections	0.1078
Weighted residual factors for all reflections included in the refinement	0.1087
Goodness-of-fit parameter for all reflections included in the refinement	1.08
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
301780 (current)	2025-08-19	Add cross-references to PubChem compounds in COD range 1/55 Each referenced PubChem compound corresponds to the full crystal structure.	1553375.cif
234192	2019-11-23	cif/ Adding structures of 1553375 via cif-deposit CGI script.	1553375.cif