Crystallography Open Database

Information card for entry 7122511

Preview

Coordinates	7122511.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C11 H16 N3 O8 P
Calculated formula	C11 H16 N3 O8 P
Title of publication	Molecular design of high-temperature organic dielectric switches.
Authors of publication	Zhou, Lin; Shi, Ping-Ping; Zheng, Xuan; Geng, Fu-Juan; Ye, Qiong; Fu, Da-Wei
Journal of publication	Chemical communications (Cambridge, England)
Year of publication	2018
Journal volume	54
Journal issue	93
Pages of publication	13111 - 13114
a	6.8885 ± 0.0014 Å
b	19.726 ± 0.004 Å
c	12.287 ± 0.004 Å
α	90°
β	107.24 ± 0.03°
γ	90°
Cell volume	1594.6 ± 0.7 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	5
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.1877
Residual factor for significantly intense reflections	0.1002
Weighted residual factors for significantly intense reflections	0.1755
Weighted residual factors for all reflections included in the refinement	0.2064
Goodness-of-fit parameter for all reflections included in the refinement	1.135
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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