Crystallography Open Database

Information card for entry 2311609

Preview

Coordinates	2311609.cif
Original IUCr paper	HTML

Structure parameters

Chemical name	<i>rac</i>-Phenyl (allylamido)(<i>p</i>-tolylamido)phosphinate
Formula	C16 H19 N2 O2 P
Calculated formula	C16 H19 N2 O2 P
Title of publication	New rac-XP(O)(OC6H5)(NHC6H4-p-CH3) [X = N(CH3)(cyclo-C6H11) and NH(C3H5)] and rac-(C6H5CH2NH)P(O)(OC6H5)(NH-cyclo-C6H11) mixed-amide phosphinates.
Authors of publication	Pourayoubi, Mehrdad; Karimi Ahmadabad, Fatemeh; Eshtiagh-Hosseini, Hossein; Kučeráková, Monika; Eigner, Václav; Dušek, Michal
Journal of publication	Acta crystallographica. Section C, Crystal structure communications
Year of publication	2013
Journal volume	69
Journal issue	Pt 10
Pages of publication	1181 - 1185
a	5.4168 ± 0.0002 Å
b	20.3357 ± 0.0009 Å
c	14.2398 ± 0.0006 Å
α	90°
β	97.489 ± 0.003°
γ	90°
Cell volume	1555.2 ± 0.11 Å³
Cell temperature	120 ± 0.14 K
Ambient diffraction temperature	120 K
Number of distinct elements	5
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	0.0352
Residual factor for significantly intense reflections	0.0279
Weighted residual factors for significantly intense reflections	0.0666
Weighted residual factors for all reflections included in the refinement	0.0702
Goodness-of-fit parameter for all reflections included in the refinement	1.81
Diffraction radiation wavelength	1.5418 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
246022 (current)	2019-12-26	cif/ Adding structures of 2311608, 2311609, 2311610 via cif-deposit CGI script.	2311609.cif