Crystallography Open Database

Information card for entry 1551026

Preview

Coordinates	1551026.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C22 H20 O4
Calculated formula	C22 H20 O4
SMILES	O=C1[C@](O)(C(=CC(=C1c1ccccc1)OC)c1ccccc1)CC(=O)C
Title of publication	Strepantibins A-C: Hexokinase II Inhibitors from a Mud Dauber Wasp Associated Streptomyces sp.
Authors of publication	Song, Ya-Jie; Zheng, Hong-Bo; Peng, Ai-Hong; Ma, Jia-Hui; Lu, Dan-Dan; Li, Xia; Zhang, Hang-Yu; Xie, Wei-Dong
Journal of publication	Journal of natural products
Year of publication	2019
Journal volume	82
Journal issue	5
Pages of publication	1114 - 1119
a	8.7354 ± 0.0001 Å
b	10.3344 ± 0.0002 Å
c	18.8954 ± 0.0003 Å
α	90°
β	90°
γ	90°
Cell volume	1705.78 ± 0.05 Å³
Cell temperature	173 ± 2 K
Ambient diffraction temperature	173 ± 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	0.0315
Residual factor for significantly intense reflections	0.0311
Weighted residual factors for significantly intense reflections	0.0819
Weighted residual factors for all reflections included in the refinement	0.0824
Goodness-of-fit parameter for all reflections included in the refinement	1.053
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
223215 (current)	2019-11-04	cif/ Updating files of 1551026 Original log message: Adding full bibliography for 1551026.cif.	1551026.cif
215102	2019-05-13	cif/ Adding structures of 1551026 via cif-deposit CGI script.	1551026.cif