Crystallography Open Database

Information card for entry 7218955

Preview

Coordinates	7218955.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C19 H26 O6
Calculated formula	C19 H26 O6
SMILES	O[C@@H]1C[C@@H](C2=C3[C@@H](C1)CC[C@@]14[C@H]3[C@H](C2=O)[C@@H](OC1=O)[C@H](O)[C@H]4C)C.O
Title of publication	Lanceolatins A-G, diterpenoids from Cephalotaxus lanceolata and their anti-inflammatory and anti-tumor activities
Authors of publication	Shen, Yunheng; He, Yi-Ren; Shan, Lei; Yang, Xi; Wen, Bo; Ye, Ji; Yuan, Xing; Li, Hui-Liang; Xu, Xi-ke; Zhang, Weidong
Journal of publication	RSC Adv.
Year of publication	2014
a	9.6069 ± 0.0001 Å
b	10.2192 ± 0.0001 Å
c	17.6653 ± 0.0002 Å
α	90°
β	90°
γ	90°
Cell volume	1734.29 ± 0.03 Å³
Cell temperature	133 ± 2 K
Ambient diffraction temperature	133 ± 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	0.0327
Residual factor for significantly intense reflections	0.0323
Weighted residual factors for significantly intense reflections	0.0862
Weighted residual factors for all reflections included in the refinement	0.0866
Goodness-of-fit parameter for all reflections included in the refinement	1.042
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
180520 (current)	2016-03-26	cif/7/21/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/21/89.	7218955.cif
128002	2014-11-29	cif/ Adding structures of 7218955 via cif-deposit CGI script.	7218955.cif