Crystallography Open Database

Information card for entry 7160094

Preview

Coordinates	7160094.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C20 H15 N2 P
Calculated formula	C20 H15 N2 P
Title of publication	Synthesis of 1,2,4-diazaphospholes <i>via</i> base-promoted cyclization reaction of hydrazonoyl chlorides and [Bu<sub>4</sub>N][P(SiCl<sub>3</sub>)<sub>2</sub>].
Authors of publication	Wang, Xin; Luo, Hui; Yang, Bo; Li, Ming; Ma, Yong-Jun; Wang, Xi-Cun; Quan, Zheng-Jun
Journal of publication	Organic & biomolecular chemistry
Year of publication	2024
Journal volume	22
Journal issue	35
Pages of publication	7138 - 7142
a	6.0016 ± 0.0004 Å
b	11.876 ± 0.0007 Å
c	11.5703 ± 0.0008 Å
α	90°
β	90.548 ± 0.002°
γ	90°
Cell volume	824.64 ± 0.09 Å³
Cell temperature	298 K
Ambient diffraction temperature	298 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	0.0742
Residual factor for significantly intense reflections	0.0435
Weighted residual factors for significantly intense reflections	0.0846
Weighted residual factors for all reflections included in the refinement	0.1008
Goodness-of-fit parameter for all reflections included in the refinement	1.034
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
295336 (current)	2024-10-06	cif/ Updating files of 7160094 Original log message: Adding full bibliography for 7160094.cif.	7160094.cif
294087	2024-08-13	cif/ Adding structures of 7160094 via cif-deposit CGI script.	7160094.cif