Crystallography Open Database

Information card for entry 1551610

Preview

Coordinates	1551610.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C16 H20 N O3 P
Calculated formula	C16 H20 N O3 P
SMILES	P(=O)(Oc1ccccc1)(NC(C)CC)Oc1ccccc1
Title of publication	Synthesis, Spectroscopic Study and Crystal Structure of a New Amidophosphonate, (C<sub>6</sub>H<sub>5</sub>O)<sub>2</sub>P(O)(NHCH(CH<sub>3</sub>)(C<sub>2</sub>H<sub>5</sub>))
Authors of publication	HAMZEHEE, Farahnaz; POURAYOUBI, Mehrdad; CHOQUESILLO-LAZARTE, Duane
Journal of publication	X-ray Structure Analysis Online
Year of publication	2016
Journal volume	32
Journal issue	0
Pages of publication	47
a	13.277 ± 0.002 Å
b	5.2887 ± 0.0007 Å
c	21.962 ± 0.005 Å
α	90°
β	99.542 ± 0.006°
γ	90°
Cell volume	1520.8 ± 0.5 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 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	0.1093
Residual factor for significantly intense reflections	0.0725
Weighted residual factors for significantly intense reflections	0.1485
Weighted residual factors for all reflections included in the refinement	0.1651
Goodness-of-fit parameter for all reflections included in the refinement	1.074
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
216221 (current)	2019-06-20	cif/ Adding structures of 1551610 via cif-deposit CGI script.	1551610.cif