Crystallography Open Database

Information card for entry 7161002

Preview

Coordinates	7161002.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C16 H18 N4 O
Calculated formula	C16 H18 N4 O
Title of publication	Regio- and Stereoselective Ring-Opening of Aziridines: A Click Chemistry Approach to Chiral Amino Alcohols and Triazole-Modified Compounds
Authors of publication	Szymańska, Julia; Palusiak, Marcin; Rybarczyk-Pirek, Agnieszka; Wiosna-Sałyga, Gabriela; Rachwalski, Michał; Pieczonka, Adam Marek
Journal of publication	Organic & Biomolecular Chemistry
Year of publication	2025
a	10.815 ± 0.0002 Å
b	6.5557 ± 0.0001 Å
c	11.7844 ± 0.0002 Å
α	90°
β	110.377 ± 0.002°
γ	90°
Cell volume	783.23 ± 0.03 Å³
Cell temperature	110 ± 0.1 K
Ambient diffraction temperature	110 ± 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	0.0485
Residual factor for significantly intense reflections	0.0482
Weighted residual factors for significantly intense reflections	0.1351
Weighted residual factors for all reflections included in the refinement	0.1355
Goodness-of-fit parameter for all reflections included in the refinement	1.073
Diffraction radiation wavelength	1.54184 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

For the version history of this entry, please navigate to main COD server.
The link is: https://www.crystallography.net/7161002.html