Crystallography Open Database

Information card for entry 4105689

Preview

Coordinates	4105689.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C27.4 H26.8 Cl0.8 N4 O7
Calculated formula	C27.4 H26.8 Cl0.8 N4 O7
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	14.158 ± 0.01 Å
b	21.005 ± 0.014 Å
c	18.336 ± 0.012 Å
α	90°
β	90°
γ	90°
Cell volume	5453 ± 6 Å³
Cell temperature	296 ± 2 K
Ambient diffraction temperature	296 ± 2 K
Number of distinct elements	5
Space group number	20
Hermann-Mauguin space group symbol	C 2 2 21
Hall space group symbol	C 2c 2
Residual factor for all reflections	0.0765
Residual factor for significantly intense reflections	0.0491
Weighted residual factors for significantly intense reflections	0.1414
Weighted residual factors for all reflections included in the refinement	0.1666
Goodness-of-fit parameter for all reflections included in the refinement	1.023
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
176467 (current)	2016-02-16	cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 4.	4105689.cif
91935	2013-12-29	cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs.	4105689.cif
52450	2012-04-11	../uploads/cif-deposit/cod/cif Adding structures of 4105689 via cif-deposit CGI script.	4105689.cif