Crystallography Open Database

Information card for entry 7134628

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Coordinates	7134628.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C10 H15 N11 O5
Calculated formula	C10 H15 N11 O5
Title of publication	Facile synthesis of bicyclic heat-resistant energetic materials via a C–N coupling strategy
Authors of publication	Jiang, Xiu’e; Fan, Mingren; Wang, Ruihui; Wang, Yi; Zhang, Qinghua
Journal of publication	Chemical Communications
Year of publication	2025
Journal volume	61
Journal issue	54
Pages of publication	9924 - 9927
a	6.616 ± 0.0005 Å
b	9.4274 ± 0.0007 Å
c	12.6888 ± 0.0007 Å
α	81.897 ± 0.006°
β	87.036 ± 0.006°
γ	79.394 ± 0.006°
Cell volume	769.86 ± 0.09 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 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	0.119
Residual factor for significantly intense reflections	0.0841
Weighted residual factors for significantly intense reflections	0.2011
Weighted residual factors for all reflections included in the refinement	0.2247
Goodness-of-fit parameter for all reflections included in the refinement	0.792
Diffraction radiation wavelength	1.54178 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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