Crystallography Open Database

Information card for entry 1557882

Preview

Coordinates	1557882.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C54 H75 N9 O13
Calculated formula	C54 H75 N9 O13
SMILES	O=C1N[C@H](C(=O)N(C)[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N([C@H](C(=O)N[C@H]1Cc1ccc(O)c(N(=O)=O)c1)CC(C)C)C)Cc1cn(c2c1cccc2)C(C=C)(C)C)C/C=C/C)CC(C)C)C[C@H](C(=O)O)CO)C
Title of publication	Antitubercular Ilamycins from Marine-Derived Streptomyces atratus SCSIO ZH16 ΔilaR
Authors of publication	Sun, Changli; Liu, Zhiyong; Zhu, Xiangcheng; Fan, Zhiying; Huang, Xuanmei; Wu, Qiaoling; Zheng, Xiaohong; Qin, Xiangjing; Zhang, Tianyu; Zhang, Hua; Ju, Jianhua; Ma, Junying
Journal of publication	Journal of Natural Products
Year of publication	2020
a	31.3214 ± 0.0009 Å
b	17.9026 ± 0.0007 Å
c	12.675 ± 0.0006 Å
α	90°
β	90°
γ	90°
Cell volume	7107.3 ± 0.5 Å³
Cell temperature	100 ± 6 K
Ambient diffraction temperature	100 ± 6 K
Number of distinct elements	4
Space group number	18
Hermann-Mauguin space group symbol	P 21 21 2
Hall space group symbol	P 2 2ab
Residual factor for all reflections	0.0796
Residual factor for significantly intense reflections	0.0576
Weighted residual factors for significantly intense reflections	0.1587
Weighted residual factors for all reflections included in the refinement	0.1727
Goodness-of-fit parameter for all reflections included in the refinement	1.026
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
251097 (current)	2020-04-23	cif/ Adding structures of 1557882 via cif-deposit CGI script.	1557882.cif