Crystallography Open Database

Information card for entry 4118361

Preview

Coordinates	4118361.cif
Original paper (by DOI)	HTML

Structure parameters

Chemical name	((2R,3R,4S,5S,6R)-3-acetoxy-4,5-bis(benzyloxy)-2-methoxy-2-oxido- 1,2-oxaphosphinan-6yl)methyl acetate
Formula	C24 H29 O9 P
Calculated formula	C24 H29 O9 P
Title of publication	Synthesis, Characterization, and Coupling Reactions of Six-Membered Cyclic P-Chiral Ammonium Phosphonite-Boranes; Reactive H-Phosphinate Equivalents for the Stereoselective Synthesis of Glycomimetics
Authors of publication	Angélique Ferry; Xavier Guinchard; Pascal Retailleau; David Crich
Journal of publication	Journal of the American Chemical Society
Year of publication	2012
Journal volume	134
Pages of publication	12289 - 12301
a	10.583 ± 0.007 Å
b	10.583 ± 0.007 Å
c	39.571 ± 0.006 Å
α	90°
β	90°
γ	120°
Cell volume	3838 ± 4 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	4
Space group number	154
Hermann-Mauguin space group symbol	P 32 2 1
Hall space group symbol	P 32 2"
Residual factor for all reflections	0.101
Residual factor for significantly intense reflections	0.0838
Weighted residual factors for significantly intense reflections	0.2151
Weighted residual factors for all reflections included in the refinement	0.2348
Goodness-of-fit parameter for all reflections included in the refinement	1.085
Diffraction radiation wavelength	1.54187 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
178954 (current)	2016-03-22	cif/4/11/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/11/83.	4118361.cif
75886	2013-03-13	cif/ Adding structures of 4118361 via cif-deposit CGI script.	4118361.cif