Crystallography Open Database

Information card for entry 4112743

Preview

Coordinates	4112743.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C38 H35 B N6 O2 S Zn
Calculated formula	C38 H35 B N6 O2 S Zn
Title of publication	New Beginnings for Matrix Metalloproteinase Inhibitors: Identification of High-Affinity Zinc-Binding Groups
Authors of publication	David T. Puerta; Jana A. Lewis; Seth M. Cohen
Journal of publication	Journal of the American Chemical Society
Year of publication	2004
Journal volume	126
Pages of publication	8388 - 8389
a	26.5165 ± 0.0015 Å
b	26.5165 ± 0.0015 Å
c	27.736 ± 0.002 Å
α	90°
β	90°
γ	120°
Cell volume	16889.1 ± 1.8 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	7
Space group number	148
Hermann-Mauguin space group symbol	R -3 :H
Hall space group symbol	-R 3
Residual factor for all reflections	0.0908
Residual factor for significantly intense reflections	0.0665
Weighted residual factors for significantly intense reflections	0.1967
Weighted residual factors for all reflections included in the refinement	0.2107
Goodness-of-fit parameter for all reflections included in the refinement	0.981
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
178898 (current)	2016-03-22	cif/4/11/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/11/27.	4112743.cif
120077	2014-07-12	Adding DOIs to range 4/11 structures.	4112743.cif
65156	2012-09-05	cif/ Adding structures of 4112743 via cif-deposit CGI script.	4112743.cif