Crystallography Open Database

Information card for entry 1574876

Preview

Coordinates	1574876.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C24 H24 O9
Calculated formula	C24 H24 O9
Title of publication	Organosolv processing of Sitka Spruce sawdust: Large scale preparation of native-like lignin and ligninOX for valorisation
Authors of publication	Davidson, Daniel J.; Sansom, Geraud N.; Miles-Barrett, Daniel Mark; Cordes, David Bradford; Slawin, Alexandra; Montgomery, James R.D.; Lebl, Tomas; Connor, Ann; Danby, Andrew M.; Gronnow, Mark; Parry, Neil J.; Hosking, Sarah L.; Grainger, David S.; Westwood, Nicholas J.
Journal of publication	Faraday Discussions
Year of publication	2025
a	9.885 ± 0.002 Å
b	10.504 ± 0.003 Å
c	10.763 ± 0.003 Å
α	78.835 ± 0.011°
β	87.376 ± 0.012°
γ	88.318 ± 0.013°
Cell volume	1095 ± 0.5 Å³
Cell temperature	173 K
Ambient diffraction temperature	173 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	0.0888
Residual factor for significantly intense reflections	0.0522
Weighted residual factors for significantly intense reflections	0.1218
Weighted residual factors for all reflections included in the refinement	0.1438
Goodness-of-fit parameter for all reflections included in the refinement	1.074
Diffraction radiation probe	x-ray
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
300081 (current)	2025-06-14	cif/ Adding structures of 1574876 via cif-deposit CGI script.	1574876.cif