Crystallography Open Database

Information card for entry 4311003

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Structure parameters

Formula	C37 H34 B N7 O2 Zn
Calculated formula	C37 H34 B N7 O2 Zn
Title of publication	Using Model Complexes To Augment and Advance Metalloproteinase Inhibitor Design
Authors of publication	Faith E. Jacobsen; Seth M. Cohen
Journal of publication	Inorganic Chemistry
Year of publication	2004
Journal volume	43
Pages of publication	3038 - 3047
a	11.7605 ± 0.0008 Å
b	12.2087 ± 0.0009 Å
c	15.0694 ± 0.0011 Å
α	94.884 ± 0.001°
β	111.004 ± 0.001°
γ	112.972 ± 0.001°
Cell volume	1794.9 ± 0.2 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	6
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0351
Residual factor for significantly intense reflections	0.0324
Weighted residual factors for significantly intense reflections	0.089
Weighted residual factors for all reflections included in the refinement	0.0907
Goodness-of-fit parameter for all reflections included in the refinement	1.103
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
301837 (current)	2025-08-21	Add cross-references to PubChem compounds in COD range 4/31/ Each referenced PubChem compound corresponds to the full crystal structure.	4311003.cif
179149	2016-03-23	cif/4/31/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/31/10.	4311003.cif
120093	2014-07-12	Adding DOIs to range 4/31 structures.	4311003.cif
34330	2012-02-24	cif/4/ Reorganising CIF range 4 into a prefix tree.	4311003.cif
2495	2010-11-10	../uploads/cif-deposit/cod/cif Adding structures of 4311003 via cif-deposit CGI script.	4311003.cif