Crystallography Open Database

Information card for entry 7154973

Preview

Coordinates	7154973.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C27 H30 Br2 N2 O5 Pd S
Calculated formula	C27 H30 Br2 N2 O5 Pd S
Title of publication	2,3-Di-O-picolinyl building blocks as glycosyl donors with switchable stereoselectivity.
Authors of publication	Yasomanee, Jagodige P.; Parameswar, Archana R.; Pornsuriyasak, Papapida; Rath, Nigam P.; Demchenko, Alexei V.
Journal of publication	Organic & biomolecular chemistry
Year of publication	2016
Journal volume	14
Journal issue	11
Pages of publication	3159 - 3169
a	8.3369 ± 0.0004 Å
b	20.8048 ± 0.001 Å
c	8.5721 ± 0.0004 Å
α	90°
β	112.222 ± 0.003°
γ	90°
Cell volume	1376.38 ± 0.12 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	7
Space group number	4
Hermann-Mauguin space group symbol	P 1 21 1
Hall space group symbol	P 2yb
Residual factor for all reflections	0.0308
Residual factor for significantly intense reflections	0.0262
Weighted residual factors for significantly intense reflections	0.0574
Weighted residual factors for all reflections included in the refinement	0.0592
Goodness-of-fit parameter for all reflections included in the refinement	1.025
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
181790 (current)	2016-04-05	cif/ Updating files of 7154973 Original log message: Adding full bibliography for 7154973.cif.	7154973.cif
176424	2016-02-13	cif/ Adding structures of 7154973 via cif-deposit CGI script.	7154973.cif