Crystallography Open Database

Information card for entry 7249451

Preview

Coordinates	7249451.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C28 H54 O6
Calculated formula	C28 H54 O6
Title of publication	Biomass-derived polyol esters as sustainable phase change materials for renewable energy storage
Authors of publication	Gwóźdź, Magdalena; Markiewicz, Marta; Stolte, Stefan; Chrobok, Anna; Turner, David R.; Matuszek, Karolina; Brzęczek-Szafran, Alina
Journal of publication	Green Chemistry
Year of publication	2024
Journal volume	26
Journal issue	22
Pages of publication	11259 - 11271
a	17.492 ± 0.004 Å
b	4.754 ± 0.001 Å
c	34.846 ± 0.007 Å
α	90°
β	98.42 ± 0.03°
γ	90°
Cell volume	2866.5 ± 1.1 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	3
Space group number	5
Hermann-Mauguin space group symbol	C 1 2 1
Hall space group symbol	C 2y
Residual factor for all reflections	0.0902
Residual factor for significantly intense reflections	0.0858
Weighted residual factors for significantly intense reflections	0.2103
Weighted residual factors for all reflections included in the refinement	0.2201
Goodness-of-fit parameter for all reflections included in the refinement	0.9969
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
296609 (current)	2024-12-06	cif/ Updating files of 7249451, 7249452 Original log message: Adding full bibliography for 7249451--7249452.cif.	7249451.cif
295449	2024-10-12	cif/ Adding structures of 7249451, 7249452 via cif-deposit CGI script.	7249451.cif