Crystallography Open Database

Information card for entry 4087205

Preview

Coordinates	4087205.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C24 H18 I3 O P Te
Calculated formula	C24 H18 I3 O P Te
SMILES	[O]1[Te](I)(I)(I)c2c3c(P=1(c1ccccc1)c1ccccc1)ccc1CCc(c31)cc2
Title of publication	Selective Oxidation and Functionalization of 6-Diphenylphosphinoacenaphthyl-5-tellurenyl Species 6-Ph2P-Ace-5-TeX (X = Mes, Cl, O3SCF3). Various Types of P‒E···Te(II,IV) Bonding Situations (E = O, S, Se)
Authors of publication	Hupf, Emanuel; Do, Truong Giang; Nordheider, Andreas; Wehrhahn, Maren; Sanz Camacho, Paula; Ashbrook, Sharon E.; Lork, Enno; Slawin, Alexandra M. Z.; Mebs, Stefan; Woollins, J. Derek; Beckmann, Jens
Journal of publication	Organometallics
Year of publication	2017
a	13.5535 ± 0.0004 Å
b	12.2415 ± 0.0003 Å
c	14.8388 ± 0.0004 Å
α	90°
β	93.301 ± 0.001°
γ	90°
Cell volume	2457.9 ± 0.12 Å³
Cell temperature	100 K
Ambient diffraction temperature	100 K
Number of distinct elements	6
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	0.0185
Residual factor for significantly intense reflections	0.0152
Weighted residual factors for significantly intense reflections	0.0326
Weighted residual factors for all reflections included in the refinement	0.0336
Goodness-of-fit parameter for all reflections included in the refinement	1.093
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
195265 (current)	2017-04-08	cif/ Adding structures of 4087195, 4087196, 4087197, 4087198, 4087199, 4087200, 4087201, 4087202, 4087203, 4087204, 4087205, 4087206 via cif-deposit CGI script.	4087205.cif