Crystallography Open Database

Information card for entry 1565517

Preview

Coordinates	1565517.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C20 H22 O7
Calculated formula	C20 H22 O7
SMILES	O[C@@]12C=C[C@]3(O)CC(=CC(=O)[C@@H]3[C@]2(O)[C@@H](O)c2c(c(OC)ccc2)[C@H]1O)C
Title of publication	Genome-Guided Discovery of Highly Oxygenated Aromatic Polyketides, Saccharothrixins D-M, from the Rare Marine Actinomycete <i>Saccharothrix</i> sp. D09.
Authors of publication	Shen, Qiyao; Dai, Guangzhi; Li, Aiying; Liu, Yang; Zhong, Guannan; Li, Xiaoju; Ren, Xiangmei; Sui, Haiyan; Fu, Jun; Jiao, Nianzhi; Zhang, Youming; Bian, Xiaoying; Zhou, Haibo
Journal of publication	Journal of natural products
Year of publication	2021
Journal volume	84
Journal issue	11
Pages of publication	2875 - 2884
a	6.8672 ± 0.0001 Å
b	11.9218 ± 0.0001 Å
c	20.574 ± 0.0002 Å
α	90°
β	90°
γ	90°
Cell volume	1684.38 ± 0.03 Å³
Cell temperature	100 ± 0.11 K
Ambient diffraction temperature	100 ± 0.11 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	0.0337
Residual factor for significantly intense reflections	0.0327
Weighted residual factors for significantly intense reflections	0.0869
Weighted residual factors for all reflections included in the refinement	0.0876
Goodness-of-fit parameter for all reflections included in the refinement	1.096
Diffraction radiation probe	x-ray
Diffraction radiation wavelength	1.54184 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
271095 (current)	2021-12-04	cif/ Adding structures of 1565517 via cif-deposit CGI script.	1565517.cif