Crystallography Open Database

Information card for entry 7157750

Preview

Coordinates	7157750.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C11 H13 Cl N4 O
Calculated formula	C11 H13 Cl N4 O
Title of publication	Novel aryltriazole acyclic C-azanucleosides as anticancer candidates.
Authors of publication	Zhang, Yanhua; Lin, Yun; Hou, Qianqian; Liu, Xi; Pricl, Sabrina; Peng, Ling; Xia, Yi
Journal of publication	Organic & biomolecular chemistry
Year of publication	2020
Journal volume	18
Journal issue	47
Pages of publication	9689 - 9699
a	4.4944 ± 0.0006 Å
b	5.4263 ± 0.0007 Å
c	12.2978 ± 0.0016 Å
α	97.735 ± 0.011°
β	94.192 ± 0.011°
γ	92.2 ± 0.011°
Cell volume	296.04 ± 0.07 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	5
Space group number	1
Hermann-Mauguin space group symbol	P 1
Hall space group symbol	P 1
Residual factor for all reflections	0.0636
Residual factor for significantly intense reflections	0.0426
Weighted residual factors for significantly intense reflections	0.0975
Weighted residual factors for all reflections included in the refinement	0.1135
Goodness-of-fit parameter for all reflections included in the refinement	1.045
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
260815 (current)	2021-01-07	cif/ Updating files of 7157750 Original log message: Adding full bibliography for 7157750.cif.	7157750.cif
259441	2020-12-02	cif/ Adding structures of 7157750 via cif-deposit CGI script.	7157750.cif