Crystallography Open Database

Information card for entry 7249452

Preview

Coordinates	7249452.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C40 H78 O6
Calculated formula	C40 H78 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	18.197 ± 0.004 Å
b	4.763 ± 0.001 Å
c	45.953 ± 0.009 Å
α	90°
β	93.13 ± 0.03°
γ	90°
Cell volume	3976.9 ± 1.4 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	0.117
Residual factor for significantly intense reflections	0.0812
Weighted residual factors for significantly intense reflections	0.23
Weighted residual factors for all reflections included in the refinement	0.2764
Goodness-of-fit parameter for all reflections included in the refinement	1.06
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.	7249452.cif
295449	2024-10-12	cif/ Adding structures of 7249451, 7249452 via cif-deposit CGI script.	7249452.cif