Crystallography Open Database

Information card for entry 7153247

Preview

Coordinates	7153247.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C28 H30 O6
Calculated formula	C28 H30 O6
SMILES	O([C@H]1O[C@H]2[C@H](O[C@H](OC2)c2ccccc2)[C@H](OCc2ccccc2)[C@H]1OCc1ccccc1)C
Title of publication	The UDP-Galp mutase catalyzed isomerization: synthesis and evaluation of 1,4-anhydro-beta-D-galactopyranose and its [2.2.2] methylene homologue.
Authors of publication	Sadeghi-Khomami, Ali; Forcada, Tatiana J.; Wilson, Claire; Sanders, David A. R.; Thomas, Neil R.
Journal of publication	Organic & biomolecular chemistry
Year of publication	2010
Journal volume	8
Journal issue	7
Pages of publication	1596 - 1602
a	11.497 ± 0.002 Å
b	9.1335 ± 0.0012 Å
c	11.666 ± 0.002 Å
α	90°
β	101.688 ± 0.002°
γ	90°
Cell volume	1199.6 ± 0.3 Å³
Cell temperature	150 ± 2 K
Ambient diffraction temperature	150 ± 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	0.0412
Residual factor for significantly intense reflections	0.0409
Weighted residual factors for significantly intense reflections	0.1006
Weighted residual factors for all reflections included in the refinement	0.101
Goodness-of-fit parameter for all reflections included in the refinement	1.082
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
180318 (current)	2016-03-26	cif/7/15/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/15/32.	7153247.cif
92510	2014-01-12	cif/ Adding structures of 7153247 via cif-deposit CGI script.	7153247.cif