Crystallography Open Database

Information card for entry 7156210

Preview

Coordinates	7156210.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	Ce H16 N7 O19
Calculated formula	Ce H4 N7 O19
Title of publication	Glycosyl nitrates in synthesis: streamlined access to glucopyranose building blocks differentiated at C-2.
Authors of publication	Wang, Tinghua; Nigudkar, Swati S.; Yasomanee, Jagodige P.; Rath, Nigam P.; Stine, Keith J.; Demchenko, Alexei V.
Journal of publication	Organic & biomolecular chemistry
Year of publication	2018
Journal volume	16
Journal issue	19
Pages of publication	3596 - 3604
a	11.0806 ± 0.0004 Å
b	8.8522 ± 0.0004 Å
c	17.7829 ± 0.0006 Å
α	90°
β	102.82 ± 0.0018°
γ	90°
Cell volume	1700.8 ± 0.11 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	4
Space group number	15
Hermann-Mauguin space group symbol	C 1 2/c 1
Hall space group symbol	-C 2yc
Residual factor for all reflections	0.0516
Residual factor for significantly intense reflections	0.044
Weighted residual factors for significantly intense reflections	0.1119
Weighted residual factors for all reflections included in the refinement	0.1151
Goodness-of-fit parameter for all reflections included in the refinement	1.161
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
230726 (current)	2019-11-17	cif/ Updating files of 7156210, 7156211, 7156212 Original log message: Adding full bibliography for 7156210--7156212.cif.	7156210.cif
207338	2018-04-14	cif/ Adding structures of 7156210, 7156211, 7156212 via cif-deposit CGI script.	7156210.cif