Crystallography Open Database

Information card for entry 2023327

2023326 << 2023327 >> 2023328

Preview

Coordinates	2023327.cif
Original IUCr paper	HTML

Structure parameters

Chemical name	1,3,3,4,4,5,5-Heptafluoro-2-(3-[(2,3,3,4,4,5,5-heptafluorocyclopenten-1-yl)oxy]-2-{[(2,3,3,4,4,5,5-heptafluorocyclopenten-1-yl)oxy]methyl}-2-methylpropoxy)cyclopentene
Formula	C20 H9 F21 O3
Calculated formula	C20 H9 F21 O3
Title of publication	Crystal structure and Hirshfeld surface analysis of 1,3,3,4,4,5,5-heptafluoro-2-(3-[(2,3,3,4,4,5,5-heptafluorocyclopenten-1-yl)oxy]-2-{[(2,3,3,4,4,5,5-heptafluorocyclopenten-1-yl)oxy]methyl}-2-methylpropoxy)cyclopentene
Authors of publication	Peloquin, Andrew J.; Balaich, Gary J.; Jennings, Abby R.
Journal of publication	Acta Crystallographica Section E Crystallographic Communications
Year of publication	2025
Journal volume	81
Journal issue	1
a	7.0271 ± 0.0001 Å
b	19.2243 ± 0.0001 Å
c	17.7558 ± 0.0001 Å
α	90°
β	97.332 ± 0.001°
γ	90°
Cell volume	2379.04 ± 0.04 Å³
Cell temperature	100 ± 0.4 K
Ambient diffraction temperature	100 ± 0.4 K
Number of distinct elements	4
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.0402
Residual factor for significantly intense reflections	0.0373
Weighted residual factors for significantly intense reflections	0.0868
Weighted residual factors for all reflections included in the refinement	0.0879
Goodness-of-fit parameter for all reflections included in the refinement	1.0712
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
296252 (current)	2024-12-06	cif/ Adding structures of 2023327 via cif-deposit CGI script.	2023327.cif