Crystallography Open Database

Information card for entry 7716951

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Coordinates	7716951.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C26 H24 N12 O19
Calculated formula	C26 H24 N12 O19
Title of publication	Energetic Derivatives Substituted with Trinitrophenyl: Improving the Sensitivity of Explosives
Authors of publication	Yu, Qiong; Chen, Yucong; Guo, Zihao; Li, Tao; Zunqi, Liu; Yi, Wen-Bin; Staples, Richard J.; Shreeve, Jean'ne M.
Journal of publication	Dalton Transactions
Year of publication	2024
a	8.217 ± 0.002 Å
b	9.115 ± 0.002 Å
c	12.762 ± 0.004 Å
α	87.69 ± 0.009°
β	75.875 ± 0.009°
γ	67.078 ± 0.006°
Cell volume	852.1 ± 0.4 Å³
Cell temperature	301 K
Ambient diffraction temperature	301 K
Number of distinct elements	4
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0877
Residual factor for significantly intense reflections	0.0579
Weighted residual factors for significantly intense reflections	0.1527
Weighted residual factors for all reflections included in the refinement	0.177
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	Yes
Has F_obs	No

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