Crystallography Open Database

Information card for entry 1508030

Preview

Coordinates	1508030.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C28 H36 F3 N2 O3 P S
Calculated formula	C28 H36 F3 N2 O3 P S
Title of publication	Isolation of crystalline carbene-stabilized P(2)-radical cations and P(2)-dications.
Authors of publication	Back, Olivier; Donnadieu, Bruno; Parameswaran, Pattiyil; Frenking, Gernot; Bertrand, Guy
Journal of publication	Nature chemistry
Year of publication	2010
Journal volume	2
Journal issue	5
Pages of publication	369 - 373
a	11.9641 ± 0.0008 Å
b	12.3049 ± 0.0007 Å
c	12.6616 ± 0.0007 Å
α	88.469 ± 0.003°
β	62.462 ± 0.003°
γ	63.204 ± 0.003°
Cell volume	1435.93 ± 0.17 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	7
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0586
Residual factor for significantly intense reflections	0.051
Weighted residual factors for significantly intense reflections	0.1245
Weighted residual factors for all reflections included in the refinement	0.1289
Goodness-of-fit parameter for all reflections included in the refinement	1.105
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
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.	1508030.cif
120071	2014-07-11	Adding DOIs to range 1 structures.	1508030.cif
62576	2012-07-09	cif/ Adding structures of 1508030 via cif-deposit CGI script.	1508030.cif