Crystallography Open Database

Information card for entry 7228516

Preview

Coordinates	7228516.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C25 H28 O7
Calculated formula	C25 H28 O7
SMILES	O1c2cc(c3OC[C@@H](C(=C)C)[C@H](c3c2C(=O)c2c(O)ccc(c12)C[C@H](O)C(O)(C)C)O)C
Title of publication	New prenylxanthones, polyketide hemiterpenoid pigments from the endophytic fungus Emericella sp. XL029 and their anti-agricultural pathogenic fungal and antibacterial activities
Authors of publication	Wu, Xia; Fang, Li-Zhen; Liu, Feng-Lou; Pang, Xue-Jiao; Qin, Hai-Li; Zhao, Ting; Xu, Lu-Lin; Yang, Deng-Feng; Yang, Xiao-Long
Journal of publication	RSC Adv.
Year of publication	2017
Journal volume	7
Journal issue	49
Pages of publication	31115
a	6.2804 ± 0.0003 Å
b	17.271 ± 0.0006 Å
c	10.3842 ± 0.0004 Å
α	90°
β	101.759 ± 0.004°
γ	90°
Cell volume	1102.72 ± 0.08 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	3
Space group number	4
Hermann-Mauguin space group symbol	P 1 21 1
Hall space group symbol	P 2yb
Residual factor for all reflections	0.0631
Residual factor for significantly intense reflections	0.0478
Weighted residual factors for significantly intense reflections	0.1072
Weighted residual factors for all reflections included in the refinement	0.1177
Goodness-of-fit parameter for all reflections included in the refinement	1.057
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
197914 (current)	2017-06-17	cif/ Adding structures of 7228516 via cif-deposit CGI script.	7228516.cif