Crystallography Open Database

Information card for entry 7122046

7122045 << 7122046 >> 7122047

Preview

Coordinates	7122046.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C4 H6 N6 O6
Calculated formula	C4 H6 N6 O6
Title of publication	A simple and versatile strategy for taming FOX-7.
Authors of publication	Yan, Chao; Yang, Hongwei; Qi, Xiujuan; Jin, Yunhe; Wang, Kangcai; Liu, Tianlin; Tian, Junjun; Nie, Fude; Cheng, Guangbin; Zhang, Qinghua
Journal of publication	Chemical communications (Cambridge, England)
Year of publication	2018
Journal volume	54
Journal issue	67
Pages of publication	9333 - 9336
a	8.821 ± 0.0019 Å
b	9.509 ± 0.002 Å
c	19.681 ± 0.004 Å
α	90°
β	90°
γ	90°
Cell volume	1650.8 ± 0.6 Å³
Cell temperature	173 K
Ambient diffraction temperature	173 K
Number of distinct elements	4
Space group number	61
Hermann-Mauguin space group symbol	P b c a
Hall space group symbol	-P 2ac 2ab
Residual factor for all reflections	0.1098
Residual factor for significantly intense reflections	0.0619
Weighted residual factors for significantly intense reflections	0.1536
Weighted residual factors for all reflections included in the refinement	0.1835
Goodness-of-fit parameter for all reflections included in the refinement	1.018
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
228572 (current)	2019-11-17	cif/ Updating files of 7122046, 7122047, 7122048, 7122049, 7122050, 7122051, 7122052 Original log message: Adding full bibliography for 7122046--7122052.cif.	7122046.cif
209290	2018-07-28	cif/ Adding structures of 7122046, 7122047, 7122048, 7122049, 7122050, 7122051, 7122052 via cif-deposit CGI script.	7122046.cif