Crystallography Open Database

Information card for entry 1576016

Preview

Coordinates	1576016.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C20 H22 O8
Calculated formula	C20 H22 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	7.3057 ± 0.0003 Å
b	8.9953 ± 0.0004 Å
c	14.6402 ± 0.0003 Å
α	90.071 ± 0.002°
β	99.076 ± 0.003°
γ	111.84 ± 0.004°
Cell volume	879.99 ± 0.06 Å³
Cell temperature	100.02 ± 0.1 K
Ambient diffraction temperature	100.02 ± 0.1 K
Number of distinct elements	3
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0743
Residual factor for significantly intense reflections	0.0652
Weighted residual factors for significantly intense reflections	0.1789
Weighted residual factors for all reflections included in the refinement	0.1873
Goodness-of-fit parameter for all reflections included in the refinement	1.072
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
303644 (current)	2025-11-29	cif/ Updating files of 1576015, 1576016, 1576017, 1576018 Original log message: Adding full bibliography for 1576015--1576018.cif.	1576016.cif
302870	2025-10-16	cif/ Adding structures of 1576015, 1576016, 1576017, 1576018 via cif-deposit CGI script.	1576016.cif