Crystallography Open Database

Information card for entry 4517527

Preview

Coordinates	4517527.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C25 H19 F5 N2
Calculated formula	C25 H19 F5 N2
Title of publication	Enantioselective Synthesis of Fluoroalkyl-Substituted syn-Diamines by the Asymmetric gem-Difunctionalization of 2,2,2-Trifluorodiazoethane
Authors of publication	Li, Jiuling; Zhang, Dan; Chen, Jianghui; Ma, Chaoqun; Hu, Wenhao
Journal of publication	ACS Catalysis
Year of publication	2020
Pages of publication	4559 - 4565
a	8.43 ± 0.0001 Å
b	11.6177 ± 0.0001 Å
c	10.918 ± 0.0001 Å
α	90°
β	108.357 ± 0.001°
γ	90°
Cell volume	1014.87 ± 0.018 Å³
Cell temperature	100 ± 0.1 K
Ambient diffraction temperature	100 ± 0.1 K
Number of distinct elements	4
Space group number	4
Hermann-Mauguin space group symbol	P 1 21 1
Hall space group symbol	P 2yb
Residual factor for all reflections	0.032
Residual factor for significantly intense reflections	0.0317
Weighted residual factors for significantly intense reflections	0.0855
Weighted residual factors for all reflections included in the refinement	0.0857
Goodness-of-fit parameter for all reflections included in the refinement	1.037
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
257057 (current)	2020-10-04	cif/ Updating files of 4517527 Original log message: Adding full bibliography for 4517527.cif.	4517527.cif
249836	2020-03-31	cif/ Adding structures of 4517527 via cif-deposit CGI script.	4517527.cif