Crystallography Open Database

Information card for entry 7055818

Preview

Coordinates	7055818.cif
Original paper (by DOI)	HTML

Structure parameters

Chemical name	2,3-bis(5-methyl-2-phenylthiazol-4-yl)-1-phenylphosphindole 1-oxide
Formula	C34 H25 N2 O P S2
Calculated formula	C34 H25 N2 O P S2
SMILES	s1c(nc(C2=C(c3ccccc3[P]2(=O)c2ccccc2)c2nc(sc2C)c2ccccc2)c1C)c1ccccc1
Title of publication	Stereoselective photoreaction in P-stereogenic dithiazolylbenzo[b]phosphole chalcogenides
Authors of publication	Iijima, Shunsuke; Nakashima, Takuya; Kawai, Tsuyoshi
Journal of publication	New J. Chem.
Year of publication	2016
Journal volume	40
Journal issue	12
Pages of publication	10048
a	11.4597 ± 0.0002 Å
b	29.072 ± 0.0005 Å
c	16.6209 ± 0.0003 Å
α	90°
β	93.7884 ± 0.0007°
γ	90°
Cell volume	5525.26 ± 0.17 Å³
Cell temperature	123 K
Ambient diffraction temperature	123 K
Number of distinct elements	6
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	0.0528
Residual factor for significantly intense reflections	0.0395
Weighted residual factors for significantly intense reflections	0.0942
Weighted residual factors for all reflections included in the refinement	0.0997
Goodness-of-fit parameter for all reflections included in the refinement	1.047
Diffraction radiation wavelength	0.71075 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
190241 (current)	2017-01-09	cif/ Updating files of 7055818, 7055819 Original log message: Adding full bibliography for 7055818--7055819.cif.	7055818.cif
187254	2016-10-11	cif/ Adding structures of 7055818, 7055819 via cif-deposit CGI script.	7055818.cif