Crystallography Open Database

Information card for entry 4325708

Preview

Coordinates	4325708.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	sd117
Formula	C17 H12 N O P
Calculated formula	C17 H12 N O P
SMILES	P1(=O)(c2ccccc2)c2c(c3ncccc13)cccc2
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	11.3208 ± 0.0003 Å
b	8.4178 ± 0.0004 Å
c	16.3424 ± 0.0009 Å
α	90°
β	119.65 ± 0.008°
γ	90°
Cell volume	1353.45 ± 0.15 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	0.0592
Residual factor for significantly intense reflections	0.0506
Weighted residual factors for significantly intense reflections	0.1412
Weighted residual factors for all reflections included in the refinement	0.1586
Goodness-of-fit parameter for all reflections included in the refinement	1.217
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
179360 (current)	2016-03-23	cif/4/32/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/32/57.	4325708.cif
91935	2013-12-29	cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs.	4325708.cif
44781	2012-03-17	../uploads/cif-deposit/cod/cif Adding structures of 4325708 via cif-deposit CGI script.	4325708.cif