Crystallography Open Database

Information card for entry 7132950

Preview

Coordinates	7132950.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C21 H6 Cl7 N2
Calculated formula	C21 H6 Cl7 N2
Title of publication	Cyano modified triphenylmethyl radical skeletons: higher stability and efficiency.
Authors of publication	Lv, Kuo; Zhang, Minzhe; Xia, Xin; Liu, Wenjing; Wan, Keke; Zhang, Ming; Li, Feng
Journal of publication	Chemical communications (Cambridge, England)
Year of publication	2024
Journal volume	60
Journal issue	36
Pages of publication	4846 - 4849
a	8.2197 ± 0.0011 Å
b	11.2036 ± 0.0015 Å
c	13.6336 ± 0.0018 Å
α	67.189 ± 0.005°
β	84.761 ± 0.005°
γ	73.004 ± 0.005°
Cell volume	1106.4 ± 0.3 Å³
Cell temperature	201 K
Ambient diffraction temperature	201 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	0.0515
Residual factor for significantly intense reflections	0.0443
Weighted residual factors for significantly intense reflections	0.1014
Weighted residual factors for all reflections included in the refinement	0.1067
Goodness-of-fit parameter for all reflections included in the refinement	1.035
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
291547 (current)	2024-05-05	cif/ Updating files of 7132949, 7132950 Original log message: Adding full bibliography for 7132949--7132950.cif.	7132950.cif
291164	2024-04-11	cif/ Adding structures of 7132949, 7132950 via cif-deposit CGI script.	7132950.cif