Crystallography Open Database

Information card for entry 1554821

Preview

Coordinates	1554821.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C25 H31 Ag F3 N2 O P
Calculated formula	C25 H31 Ag F3 N2 O P
SMILES	[Ag]1([P](c2ccccc2)(C(C)(C)C)C(C)(C)C)([n]2ccccc2c2[n]1cccc2)OC(F)(F)F
Title of publication	[Ag(bpy)(PPhtBu2)(OCF3)]: a stable nucleophilic reagent for chemoselective and stereospecific trifluoromethoxylation of secondary alkyl nosylates
Authors of publication	Chen, Daoqian; Lu, Long; Shen, Qilong
Journal of publication	Organic Chemistry Frontiers
Year of publication	2019
Journal volume	6
Journal issue	11
Pages of publication	1801
a	11.3702 ± 0.0003 Å
b	12.6386 ± 0.0003 Å
c	17.83 ± 0.0005 Å
α	90°
β	103.361 ± 0.001°
γ	90°
Cell volume	2492.88 ± 0.11 Å³
Cell temperature	173 ± 2 K
Ambient diffraction temperature	173 ± 2 K
Number of distinct elements	7
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	0.0284
Residual factor for significantly intense reflections	0.026
Weighted residual factors for significantly intense reflections	0.0875
Weighted residual factors for all reflections included in the refinement	0.0904
Goodness-of-fit parameter for all reflections included in the refinement	1.011
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
238138 (current)	2019-11-24	cif/ Adding structures of 1554816, 1554817, 1554818, 1554819, 1554820, 1554821 via cif-deposit CGI script.	1554821.cif