Crystallography Open Database

Information card for entry 1557513

Preview

Coordinates	1557513.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C16 H21 N2 O0.1 P
Calculated formula	C16 H21 N2 O0.1 P
Title of publication	Diazaphosphinanes as hydride, hydrogen atom, proton or electron donors under transition-metal-free conditions: thermodynamics, kinetics, and synthetic applications
Authors of publication	Zhang, Jingjing; Yang, Jin-Dong; Cheng, Jin-Pei
Journal of publication	Chemical Science
Year of publication	2020
Journal volume	11
Journal issue	14
Pages of publication	3672 - 3679
a	8.613 ± 0.0019 Å
b	17.7 ± 0.008 Å
c	9.511 ± 0.002 Å
α	90°
β	90°
γ	90°
Cell volume	1450 ± 0.8 Å³
Cell temperature	173 ± 0.1 K
Ambient diffraction temperature	173 ± 0.1 K
Number of distinct elements	5
Space group number	62
Hermann-Mauguin space group symbol	P n m a
Hall space group symbol	-P 2ac 2n
Residual factor for all reflections	0.1359
Residual factor for significantly intense reflections	0.1192
Weighted residual factors for significantly intense reflections	0.3078
Weighted residual factors for all reflections included in the refinement	0.3238
Goodness-of-fit parameter for all reflections included in the refinement	1.152
Diffraction radiation probe	x-ray
Diffraction radiation wavelength	1.54184 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
257354 (current)	2020-10-06	cif/ Updating files of 1557513 Original log message: Adding full bibliography for 1557513.cif.	1557513.cif
251598	2020-05-05	cif/ Updating files of 1557513 Original log message: Adding full bibliography for 1557513.cif.	1557513.cif
249105	2020-03-06	cif/ Adding structures of 1557513 via cif-deposit CGI script.	1557513.cif