Crystallography Open Database

Information card for entry 7111212

Preview

Coordinates	7111212.cif
Original paper (by DOI)	HTML

Structure parameters

Chemical name	methyl 2,3(R):4,6(R)-di-O-[2,2-(1,4-butoxy)]phenylidene-α-D-mannopyranoside
Formula	C25 H28 O8
Calculated formula	C25 H28 O8
Title of publication	The formation of a cyclic diacetal of methyl α-D-mannopyranoside with a 16-membered macrocyclic loop
Authors of publication	Maslinska-Solich, Jolanta; Kuznik, Nikodem; Kubicki, Maciej; Kukowka, Sylwia
Journal of publication	Chemical Communications
Year of publication	2002
Journal issue	9
Pages of publication	984
a	11.955 ± 0.002 Å
b	16.56 ± 0.003 Å
c	12.578 ± 0.003 Å
α	90°
β	113.83 ± 0.03°
γ	90°
Cell volume	2277.8 ± 0.9 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	3
Space group number	4
Hermann-Mauguin space group symbol	P 1 21 1
Hall space group symbol	P 2yb
Residual factor for all reflections	0.0451
Residual factor for significantly intense reflections	0.0402
Weighted residual factors for significantly intense reflections	0.098
Weighted residual factors for all reflections included in the refinement	0.1014
Goodness-of-fit parameter for all reflections included in the refinement	1.001
Diffraction radiation wavelength	1.5418 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
180226 (current)	2016-03-26	cif/7/11/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/11/12.	7111212.cif
96357	2014-01-29	cif/ Adding structures of 7111212 via cif-deposit CGI script.	7111212.cif