Crystallography Open Database

Information card for entry 7058458

Preview

Coordinates	7058458.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C48 H74 Cl4 N36 O33
Calculated formula	C48 H74 Cl4 N36 O33
Title of publication	Exploring the reactive chemistry of FOX-7: synthesis of cyclic triazinane-based energetic materials featuring the FOX-7 backbone
Authors of publication	Yan, Chao; Cheng, Guangbin; Wang, Kangcai; Liu, Tianlin; Jin, Yunhe; Yang, Hongwei; Zhang, Qinghua
Journal of publication	New Journal of Chemistry
Year of publication	2019
Journal volume	43
Journal issue	26
Pages of publication	10429
a	13.79 ± 0.002 Å
b	7.0973 ± 0.0011 Å
c	19.7 ± 0.003 Å
α	90°
β	98.238 ± 0.004°
γ	90°
Cell volume	1908.2 ± 0.5 Å³
Cell temperature	173 K
Ambient diffraction temperature	173 K
Number of distinct elements	5
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/n 1
Hall space group symbol	-P 2yn
Residual factor for all reflections	0.1216
Residual factor for significantly intense reflections	0.0606
Weighted residual factors for significantly intense reflections	0.1345
Weighted residual factors for all reflections included in the refinement	0.1666
Goodness-of-fit parameter for all reflections included in the refinement	1.022
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

For the version history of this entry, please navigate to main COD server.
The link is: https://www.crystallography.net/7058458.html