Crystallography Open Database

Information card for entry 1516608

Preview

Coordinates	1516608.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C19 H19 O5 P
Calculated formula	C19 H19 O5 P
SMILES	P(=O)(OCC)(OCC)c1c(c2ccccc2oc1=O)c1ccccc1
Title of publication	Silver-Catalyzed Synthesis of 3-Phosphorated Coumarins via Radical Cyclization of Alkynoates and Dialkyl H-Phosphonates.
Authors of publication	Mi, Xia; Wang, Chenyang; Huang, Mengmeng; Zhang, Jianye; Wu, Yusheng; Wu, Yangjie
Journal of publication	Organic letters
Year of publication	2014
Journal volume	16
Journal issue	12
Pages of publication	3356 - 3359
a	10.365 ± 0.004 Å
b	11.372 ± 0.0012 Å
c	15.121 ± 0.002 Å
α	90°
β	96.49 ± 0.02°
γ	90°
Cell volume	1770.9 ± 0.7 Å³
Cell temperature	291 ± 2 K
Ambient diffraction temperature	291.15 K
Number of distinct elements	4
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/n 1
Hall space group symbol	-P 2yn
Residual factor for all reflections	0.0671
Residual factor for significantly intense reflections	0.0451
Weighted residual factors for significantly intense reflections	0.1018
Weighted residual factors for all reflections included in the refinement	0.1129
Goodness-of-fit parameter for all reflections included in the refinement	1.021
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
176729 (current)	2016-02-18	cif/ (antanas@echidna.ibt.lt) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 1.	1516608.cif
119301	2014-07-05	cif/ Updating files of 1516608 Original log message: Adding full bibliography for 1516608.cif.	1516608.cif
116484	2014-06-13	cif/ Adding structures of 1516608 via cif-deposit CGI script.	1516608.cif