Crystallography Open Database

Information card for entry 8105987

Preview

Coordinates	8105987.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C9 H8 N4 O7
Calculated formula	C9 H8 N4 O7
Title of publication	The crystal structure of propan-2-one O-(2,4,6-trinitrophenyl) oxime, C9H8N4O7
Authors of publication	Lizhen, Chen; Yunzhang, Liu; Jianlong, Wang; Jun, Chen; Hongxia, Pan
Journal of publication	Zeitschrift für Kristallographie - New Crystal Structures
Year of publication	2019
Journal volume	234
Journal issue	6
Pages of publication	1223 - 1224
a	21.0595 ± 0.0011 Å
b	14.8565 ± 0.0008 Å
c	7.6437 ± 0.0004 Å
α	90°
β	90°
γ	90°
Cell volume	2391.5 ± 0.2 Å³
Cell temperature	173 ± 2 K
Ambient diffraction temperature	173 ± 2 K
Number of distinct elements	4
Space group number	41
Hermann-Mauguin space group symbol	A e a 2
Hall space group symbol	A 2 -2ab
Residual factor for all reflections	0.0613
Residual factor for significantly intense reflections	0.0397
Weighted residual factors for significantly intense reflections	0.075
Weighted residual factors for all reflections included in the refinement	0.0825
Goodness-of-fit parameter for all reflections included in the refinement	1.027
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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