Crystallography Open Database

Information card for entry 8107559

Preview

Coordinates	8107559.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C10 H5 N5 O5
Calculated formula	C10 H5 N5 O5
Title of publication	The crystal structure of 5,7-dinitropyrazolo[5,1-b]quinazolin-9(4H)-one, C10H5N5O5
Authors of publication	Jin, Shouwen; Zhang, Qiong; Zhen, Yaoqi; Shi, Chengzhe; Wang, Daqi
Journal of publication	Zeitschrift für Kristallographie - New Crystal Structures
Year of publication	2023
Journal volume	238
Journal issue	4
Pages of publication	775 - 777
a	10.9546 ± 0.0011 Å
b	7.3433 ± 0.0008 Å
c	13.2567 ± 0.0015 Å
α	90°
β	102.972 ± 0.005°
γ	90°
Cell volume	1039.19 ± 0.19 Å³
Cell temperature	298 ± 2 K
Ambient diffraction temperature	298 ± 2 K
Number of distinct elements	4
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	0.0959
Residual factor for significantly intense reflections	0.063
Weighted residual factors for significantly intense reflections	0.1489
Weighted residual factors for all reflections included in the refinement	0.1622
Goodness-of-fit parameter for all reflections included in the refinement	1.011
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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