Crystallography Open Database

Information card for entry 1566566

Preview

Coordinates	1566566.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C17 H22 O10
Calculated formula	C17 H22 O10
SMILES	O1c2c(c(O)ccc2)C(=O)[C@@]2(O)[C@@]1(C(=O)OC)[C@@H](O)[C@@H](CC2=O)C.OC.O
Title of publication	Amycolachromones A–F, Isolated from a Streptomycin-Resistant Strain of the Deep-Sea Marine Actinomycete Amycolatopsis sp. WP1
Authors of publication	Chen, Jianwei; Chen, Jun; Wang, Siqi; Bao, Xiaoze; Li, Songwei; Wei, Bin; Zhang, Huawei; Wang, Hong
Journal of publication	Marine Drugs
Year of publication	2022
Journal volume	20
Journal issue	3
Pages of publication	162
a	7.776 ± 0.0003 Å
b	8.6993 ± 0.0004 Å
c	26.8196 ± 0.0011 Å
α	90°
β	90°
γ	90°
Cell volume	1814.23 ± 0.13 Å³
Cell temperature	296.3 ± 0.3 K
Ambient diffraction temperature	296.3 ± 0.3 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	0.0566
Residual factor for significantly intense reflections	0.0455
Weighted residual factors for significantly intense reflections	0.1177
Weighted residual factors for all reflections included in the refinement	0.1256
Goodness-of-fit parameter for all reflections included in the refinement	1.011
Diffraction radiation probe	x-ray
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
273451 (current)	2022-03-05	cif/ Adding structures of 1566566 via cif-deposit CGI script.	1566566.cif