Crystallography Open Database

Information card for entry 7229661

Preview

Coordinates	7229661.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C24 H22 Cl N3 O2
Calculated formula	C23.998 H21.996 Cl N3 O2
Title of publication	1,3-Dipolar [3 + 3] cycloaddition of α-halohydroxamate-based azaoxyallyl cations with hydrazonoyl chloride-derived nitrile imines
Authors of publication	Zhao, Hong-Wu; Zhao, Yu-Di; Liu, Yue-Yang; Zhao, Li-Jiao; Song, Xiu-Qing; Chen, Xiao-Qin; Pang, Hai-Liang; Du, Juan; Feng, Ning-Ning
Journal of publication	RSC Advances
Year of publication	2017
Journal volume	7
Journal issue	87
Pages of publication	55106
a	7.9332 ± 0.0014 Å
b	10.9116 ± 0.0018 Å
c	12.9665 ± 0.0019 Å
α	96.881 ± 0.004°
β	92.036 ± 0.002°
γ	109.013 ± 0.005°
Cell volume	1050.2 ± 0.3 Å³
Cell temperature	113 K
Ambient diffraction temperature	113 K
Number of distinct elements	5
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0399
Residual factor for significantly intense reflections	0.0334
Weighted residual factors for significantly intense reflections	0.0867
Weighted residual factors for all reflections included in the refinement	0.0905
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	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
204019 (current)	2017-12-06	cif/ Adding structures of 7229661 via cif-deposit CGI script.	7229661.cif