Crystallography Open Database

Information card for entry 1548688

Preview

Coordinates	1548688.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C30 H23 N O10
Calculated formula	C30 H25 N O12
SMILES	O1C(=O)[C@](N2C(=O)c3c(O)c4c5c(CCc4cc3C[C@]12C)c(O)c(O)c1c5Oc2ccc(OC)c(O)c2C1=O)(C)CO.O.O.O1C(=O)[C@@](N2C(=O)c3c(O)c4c5c(CCc4cc3C[C@@]12C)c(O)c(O)c1c5Oc2ccc(OC)c(O)c2C1=O)(C)CO.O.O
Title of publication	Four New Antibacterial Xanthones from the Marine-Derived Actinomycetes Streptomyces caelestis
Authors of publication	Ling-Li Liu; Ying Xu; Zhuang Han; Yong-Xin Li; Liang Lu; Pok-Yui Lai; Jia-Liang Zhong; Xian-Rong Guo; Xi-Xiang Zhang; Pei-Yuan Qian
Journal of publication	Marine Drugs
Year of publication	2012
Journal volume	10
Pages of publication	2571 - 2583
a	15.307 ± 0.003 Å
b	7.9472 ± 0.0016 Å
c	24.715 ± 0.005 Å
α	90°
β	97.18 ± 0.03°
γ	90°
Cell volume	2982.9 ± 1.1 Å³
Cell temperature	296 ± 2 K
Ambient diffraction temperature	296 ± 2 K
Number of distinct elements	4
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.2947
Residual factor for significantly intense reflections	0.2224
Weighted residual factors for significantly intense reflections	0.4653
Weighted residual factors for all reflections included in the refinement	0.5021
Goodness-of-fit parameter for all reflections included in the refinement	1.848
Diffraction radiation wavelength	1.54178 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
205219 (current)	2018-01-15	cif/ Adding structures of 1548688 via cif-deposit CGI script.	1548688.cif