Crystallography Open Database

Information card for entry 7129322

Preview

Coordinates	7129322.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C14 H20 N3 O2 P S
Calculated formula	C14 H20 N3 O2 P S
Title of publication	Au(I)-Mediated N2-Elimination from Triazaphospholes: A One-Pot Synthesis of Novel N2P2-Heterocycles
Authors of publication	Yue, Erlin; Dettling, Lea; Sklorz, Julian; Kaiser, Selina; Weber, Manuela; Muller, Christian
Journal of publication	Chemical Communications
Year of publication	2021
a	10.6589 ± 0.0003 Å
b	17.72 ± 0.0004 Å
c	8.8396 ± 0.0002 Å
α	90°
β	102.665 ± 0.0009°
γ	90°
Cell volume	1628.96 ± 0.07 Å³
Cell temperature	104 ± 2 K
Ambient diffraction temperature	104 ± 2 K
Number of distinct elements	6
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.0575
Residual factor for significantly intense reflections	0.037
Weighted residual factors for significantly intense reflections	0.0817
Weighted residual factors for all reflections included in the refinement	0.0896
Goodness-of-fit parameter for all reflections included in the refinement	1.033
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
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/7129322.html