Crystallography Open Database

Information card for entry 4121254

Preview

Coordinates	4121254.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	[2,2-binaphthol-ligand]
Formula	C10 H7 O
Calculated formula	C10 H7 O
Title of publication	Chirality Sensing of Amines, Diamines, Amino Acids, Amino Alcohols, and α-Hydroxy Acids with a Single Probe
Authors of publication	Keith W. Bentley; Yea G. Nam; Jaslynn M. Murphy; Christian Wolf
Journal of publication	Journal of the American Chemical Society
Year of publication	2013
Journal volume	135
Pages of publication	18052 - 18055
a	13.5742 ± 0.0015 Å
b	6.4041 ± 0.0007 Å
c	8.1012 ± 0.0009 Å
α	90°
β	99.001 ± 0.001°
γ	90°
Cell volume	695.57 ± 0.13 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	3
Space group number	13
Hermann-Mauguin space group symbol	P 1 2/c 1
Hall space group symbol	-P 2yc
Residual factor for all reflections	0.0409
Residual factor for significantly intense reflections	0.0382
Weighted residual factors for significantly intense reflections	0.118
Weighted residual factors for all reflections included in the refinement	0.1201
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
179014 (current)	2016-03-22	cif/4/12/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/12/12.	4121254.cif
107435	2014-03-19	cif/ Adding structures of 4121254 via cif-deposit CGI script.	4121254.cif