Crystallography Open Database

Information card for entry 1559409

Preview

Coordinates	1559409.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C21 H25 N O4
Calculated formula	C21 H25 N O4
SMILES	O=c1[nH]cc(c(O)c1C(=O)[C@H](C[C@H](C/C=C/C)C)C)c1ccc(O)cc1
Title of publication	4-Hydroxy Pyridones from Heterologous Expression and Cultivation of the Native Host.
Authors of publication	Zhang, Wei-Yang; Zhong, Yue; Yu, Yang; Shi, Dan-Feng; Huang, Hui-Yun; Tang, Xiao-Long; Wang, Yong-Heng; Chen, Guo-Dong; Zhang, Hui-Ping; Liu, Chen-Li; Hu, Dan; Gao, Hao; Yao, Xin-Sheng
Journal of publication	Journal of natural products
Year of publication	2020
a	14.872 ± 0.0007 Å
b	7.8414 ± 0.0005 Å
c	35.3848 ± 0.0017 Å
α	90°
β	92.297 ± 0.004°
γ	90°
Cell volume	4123.2 ± 0.4 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	4
Space group number	4
Hermann-Mauguin space group symbol	P 1 21 1
Hall space group symbol	P 2yb
Residual factor for all reflections	0.1051
Residual factor for significantly intense reflections	0.0667
Weighted residual factors for significantly intense reflections	0.158
Weighted residual factors for all reflections included in the refinement	0.1912
Goodness-of-fit parameter for all reflections included in the refinement	0.985
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
258596 (current)	2020-10-25	cif/ Adding structures of 1559409 via cif-deposit CGI script.	1559409.cif