Crystallography Open Database

Information card for entry 4325709

Preview

Coordinates	4325709.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	sd118
Formula	C17 H12 N O P
Calculated formula	C17 H12 N O P
SMILES	c12c(cccc1)c1c(nccc1)P2(=O)c1ccccc1
Title of publication	Azadibenzophospholes: Functional Building Blocks with Pronounced Electron-Acceptor Character
Authors of publication	Stefan Durben; Thomas Baumgartner
Journal of publication	Inorganic Chemistry
Year of publication	2011
Journal volume	50
Pages of publication	6823 - 6836
a	9.9305 ± 0.0007 Å
b	9.5391 ± 0.0004 Å
c	14.1372 ± 0.0009 Å
α	90°
β	92.259 ± 0.002°
γ	90°
Cell volume	1338.15 ± 0.14 Å³
Cell temperature	173 ± 2 K
Ambient diffraction temperature	173 ± 2 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	0.0574
Residual factor for significantly intense reflections	0.0485
Weighted residual factors for significantly intense reflections	0.1373
Weighted residual factors for all reflections included in the refinement	0.1591
Goodness-of-fit parameter for all reflections included in the refinement	1.191
Diffraction radiation wavelength	0.7107 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
176467 (current)	2016-02-16	cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 4.	4325709.cif
91935	2013-12-29	cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs.	4325709.cif
44782	2012-03-17	../uploads/cif-deposit/cod/cif Adding structures of 4325709 via cif-deposit CGI script.	4325709.cif