Crystallography Open Database

Information card for entry 7122906

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Coordinates	7122906.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C14 H18 N18 O8
Calculated formula	C14 H18 N18 O8
Title of publication	Polycyclic N-Oxides: High Performing, Low Sensitivity Energetic Materials
Authors of publication	Snyder, Christopher; Wells, Lucille; Chavez, David; Imler, Gregory H.; Parrish, Damon A.
Journal of publication	Chemical Communications
Year of publication	2019
a	11.8361 ± 0.0004 Å
b	11.0288 ± 0.0004 Å
c	17.3634 ± 0.0006 Å
α	90°
β	92.3283 ± 0.001°
γ	90°
Cell volume	2264.71 ± 0.14 Å³
Cell temperature	150 ± 2 K
Ambient diffraction temperature	150 ± 2 K
Number of distinct elements	4
Space group number	15
Hermann-Mauguin space group symbol	C 1 2/c 1
Hall space group symbol	-C 2yc
Residual factor for all reflections	0.0434
Residual factor for significantly intense reflections	0.0352
Weighted residual factors for significantly intense reflections	0.0947
Weighted residual factors for all reflections included in the refinement	0.0998
Goodness-of-fit parameter for all reflections included in the refinement	1.045
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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