Crystallography Open Database

Information card for entry 1576017

Preview

Coordinates	1576017.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C20 H24 O9
Calculated formula	C19 H20 O8
Title of publication	Heterologous expression of an <i>in planta</i>-upregulated gene cluster in the wheat pathogen <i>Parastagonospora nodorum</i> establishes the biosynthesis of methylene-bridged depsides.
Authors of publication	Nguyen, Hera T.; Sbaraini, Nicolau; Bracegirdle, Joe; Smithers, Luke; Moggach, Stephen A.; Vuong, Daniel; Lacey, Ernest; Solomon, Peter S.; Haywood, Joel; Piggott, Andrew M.; Chooi, Yit-Heng
Journal of publication	Chemical science
Year of publication	2025
Journal volume	16
Journal issue	46
Pages of publication	21852 - 21861
a	16.6109 ± 0.0015 Å
b	9.0434 ± 0.0005 Å
c	25.32 ± 0.002 Å
α	90°
β	104.606 ± 0.009°
γ	90°
Cell volume	3680.6 ± 0.5 Å³
Cell temperature	100 ± 0.1 K
Ambient diffraction temperature	100 ± 0.1 K
Number of distinct elements	3
Space group number	15
Hermann-Mauguin space group symbol	C 1 2/c 1
Hall space group symbol	-C 2yc
Residual factor for all reflections	0.1232
Residual factor for significantly intense reflections	0.1142
Weighted residual factors for significantly intense reflections	0.2107
Weighted residual factors for all reflections included in the refinement	0.2147
Goodness-of-fit parameter for all reflections included in the refinement	1.179
Diffraction radiation probe	x-ray
Diffraction radiation wavelength	1.54184 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
303644 (current)	2025-11-29	cif/ Updating files of 1576015, 1576016, 1576017, 1576018 Original log message: Adding full bibliography for 1576015--1576018.cif.	1576017.cif
302870	2025-10-16	cif/ Adding structures of 1576015, 1576016, 1576017, 1576018 via cif-deposit CGI script.	1576017.cif