Crystallography Open Database

Information card for entry 7160134

Preview

Coordinates	7160134.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C17 H13 N3 O2
Calculated formula	C17 H13 N3 O2
Title of publication	One-pot sequential synthesis of unsymmetrical diarylmethanes using methylene chloride as a C1-synthon.
Authors of publication	Cui, Xueli; Chen, Chunming; Xie, Mei; Zhao, Taotao; Yi, Jianfeng; Sun, Weiqiang; Xiong, Zhuang; Hu, Jinhui; Wong, Wing-Leung; Wu, Jia-Qiang
Journal of publication	Organic & biomolecular chemistry
Year of publication	2024
Journal volume	22
Journal issue	39
Pages of publication	7965 - 7970
a	9.2049 ± 0.0002 Å
b	12.7933 ± 0.0002 Å
c	13.0136 ± 0.0002 Å
α	97.634 ± 0.001°
β	105.415 ± 0.002°
γ	100.459 ± 0.002°
Cell volume	1426.06 ± 0.05 Å³
Cell temperature	297 ± 0.2 K
Ambient diffraction temperature	297 ± 0.2 K
Number of distinct elements	4
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0706
Residual factor for significantly intense reflections	0.0623
Weighted residual factors for significantly intense reflections	0.1773
Weighted residual factors for all reflections included in the refinement	0.1847
Goodness-of-fit parameter for all reflections included in the refinement	1.108
Diffraction radiation probe	x-ray
Diffraction radiation wavelength	1.54184 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
296684 (current)	2024-12-06	cif/ Updating files of 7160134 Original log message: Adding full bibliography for 7160134.cif.	7160134.cif
294667	2024-09-07	cif/ Adding structures of 7160134 via cif-deposit CGI script.	7160134.cif