Crystallography Open Database

Information card for entry 7054727

Preview

Coordinates	7054727.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C14 H15 N2 O5 P
Calculated formula	C14 H15 N2 O5 P
SMILES	P(=O)(Oc1ccccc1)(Oc1ccccc1)NNC(=O)OC
Title of publication	Synthesis and structural study of some new phosphorus(v) hydrazide compounds: spectroscopic evidence and a theoretical approach
Authors of publication	Gholivand, Khodayar; Molaei, Foroogh
Journal of publication	New J. Chem.
Year of publication	2015
Journal volume	39
Journal issue	5
Pages of publication	3747
a	5.757 ± 0.0002 Å
b	8.9928 ± 0.0003 Å
c	14.7059 ± 0.0006 Å
α	78.99 ± 0.001°
β	86.504 ± 0.001°
γ	87.806 ± 0.001°
Cell volume	745.67 ± 0.05 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	5
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0339
Residual factor for significantly intense reflections	0.032
Weighted residual factors for significantly intense reflections	0.089
Weighted residual factors for all reflections included in the refinement	0.091
Goodness-of-fit parameter for all reflections included in the refinement	1.041
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
180101 (current)	2016-03-26	cif/7/05/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/05/47.	7054727.cif
138797	2015-06-07	cif/ Updating files of 7054726, 7054727, 7054728 Original log message: Adding full bibliography for 7054726--7054728.cif.	7054727.cif
133757	2015-03-10	cif/ Adding structures of 7054726, 7054727, 7054728 via cif-deposit CGI script.	7054727.cif