Crystallography Open Database

Information card for entry 2023419

2023418 << 2023419 >> 2023420

Preview

Coordinates	2023419.cif
Original IUCr paper	HTML

Structure parameters

Formula	C20 H6 F8 N6 O6
Calculated formula	C20 H6 F8 N6 O6
Title of publication	Polymorphism and Hirshfeld surface analysis of tetra-oxa[2]perfluoro-arene[2]triazine.
Authors of publication	Kawasaki, Tadashi; Hori, Akiko
Journal of publication	Acta crystallographica. Section E, Crystallographic communications
Year of publication	2025
Journal volume	81
Journal issue	Pt 4
Pages of publication	289 - 295
a	7.1729 ± 0.001 Å
b	9.7282 ± 0.0012 Å
c	16.307 ± 0.002 Å
α	104.42 ± 0.004°
β	91.293 ± 0.005°
γ	99.274 ± 0.004°
Cell volume	1085.3 ± 0.2 Å³
Cell temperature	100 K
Ambient diffraction temperature	100 K
Number of distinct elements	5
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0684
Residual factor for significantly intense reflections	0.0472
Weighted residual factors for significantly intense reflections	0.1176
Weighted residual factors for all reflections included in the refinement	0.1299
Goodness-of-fit parameter for all reflections included in the refinement	1.035
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
299521 (current)	2025-05-03	cif/ Updating files of 2023418, 2023419 Original log message: Adding full bibliography for 2023418--2023419.cif.	2023419.cif
298317	2025-03-07	cif/ Adding structures of 2023418, 2023419 via cif-deposit CGI script.	2023419.cif