Crystallography Open Database

Information card for entry 4105690

Preview

Coordinates	4105690.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C26.08 H27.16 N5 O4.36
Calculated formula	C26.08 H27.16 N5 O4.36
Title of publication	Fungal Indole Alkaloid Biosynthesis: Genetic and Biochemical Investigation of the Tryptoquialanine Pathway in Penicillium aethiopicum
Authors of publication	Xue Gao; Yit-Heng Chooi; Brian D. Ames; Peng Wang; Christopher T. Walsh; Yi Tang
Journal of publication	Journal of the American Chemical Society
Year of publication	2011
Journal volume	133
Pages of publication	2729 - 2741
a	21.974 ± 0.003 Å
b	21.974 ± 0.003 Å
c	10.8958 ± 0.0017 Å
α	90°
β	90°
γ	120°
Cell volume	4556.3 ± 1.1 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	4
Space group number	173
Hermann-Mauguin space group symbol	P 63
Hall space group symbol	P 6c
Residual factor for all reflections	0.0942
Residual factor for significantly intense reflections	0.0703
Weighted residual factors for significantly intense reflections	0.1593
Weighted residual factors for all reflections included in the refinement	0.1713
Goodness-of-fit parameter for all reflections included in the refinement	1.081
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
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.	4105690.cif
91935	2013-12-29	cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs.	4105690.cif
52451	2012-04-11	../uploads/cif-deposit/cod/cif Adding structures of 4105690 via cif-deposit CGI script.	4105690.cif