Crystallography Open Database

Information card for entry 4105624

Preview

Coordinates	4105624.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C34.38 H41.75 Cl2.75 N O6
Calculated formula	C34.375 H41.75 Cl2.75 N O6
Title of publication	Structure and Biosynthesis of the Marine Streptomycete Ansamycin Ansalactam A and Its Distinctive Branched Chain Polyketide Extender Unit
Authors of publication	Micheal C. Wilson; Sang-Jip Nam; Tobias A. M. Gulder; Christopher A. Kauffman; Paul R. Jensen; William Fenical; Bradley S. Moore
Journal of publication	Journal of the American Chemical Society
Year of publication	2011
Journal volume	133
Pages of publication	1971 - 1977
a	11.7897 ± 0.0012 Å
b	14.5693 ± 0.0014 Å
c	19.106 ± 0.002 Å
α	90°
β	95.564 ± 0.006°
γ	90°
Cell volume	3266.3 ± 0.6 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	5
Space group number	4
Hermann-Mauguin space group symbol	P 1 21 1
Hall space group symbol	P 2yb
Residual factor for all reflections	0.0506
Residual factor for significantly intense reflections	0.0488
Weighted residual factors for significantly intense reflections	0.1375
Weighted residual factors for all reflections included in the refinement	0.1394
Goodness-of-fit parameter for all reflections included in the refinement	1.046
Diffraction radiation wavelength	1.54178 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
178802 (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 4/10/56.	4105624.cif
91935	2013-12-29	cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs.	4105624.cif
52384	2012-04-11	../uploads/cif-deposit/cod/cif Adding structures of 4105624 via cif-deposit CGI script.	4105624.cif