Crystallography Open Database

Information card for entry 4105356

Preview

Coordinates	4105356.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C30 H30 N2 O4
Calculated formula	C30 H28 N2 O4
SMILES	c1c(c2c3c(ccc2)cccc3c2cc(c(O)cc2)/C=N/[C@H](C)CO)ccc(c1/C=N/[C@H](C)CO)O
Title of publication	Chiral Amplification with a Stereodynamic Triaryl Probe: Assignment of the Absolute Configuration and Enantiomeric Excess of Amino Alcohols
Authors of publication	Marwan W. Ghosn; Christian Wolf
Journal of publication	Journal of the American Chemical Society
Year of publication	2009
Journal volume	131
Pages of publication	16360 - 16361
a	12.0825 ± 0.0008 Å
b	12.0825 ± 0.0008 Å
c	17.397 ± 0.0011 Å
α	90°
β	90°
γ	90°
Cell volume	2539.7 ± 0.3 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	4
Space group number	96
Hermann-Mauguin space group symbol	P 43 21 2
Hall space group symbol	P 4nw 2abw
Residual factor for all reflections	0.0551
Residual factor for significantly intense reflections	0.0484
Weighted residual factors for significantly intense reflections	0.1184
Weighted residual factors for all reflections included in the refinement	0.123
Goodness-of-fit parameter for all reflections included in the refinement	1.062
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
178799 (current)	2016-03-21	cif/4/10/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/10/53.	4105356.cif
120076	2014-07-11	Adding DOIs to range 4/10 structures.	4105356.cif
34330	2012-02-24	cif/4/ Reorganising CIF range 4 into a prefix tree.	4105356.cif
30551	2011-11-13	../uploads/cif-deposit/cod/cif Adding structures of 4105356 via cif-deposit CGI script.	4105356.cif