Crystallography Open Database

Information card for entry 7226399

Preview

Coordinates	7226399.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	gymnastatin T
Formula	C24 H38 Br N O7
Calculated formula	C24 H38 Br N O7
SMILES	Br[C@]12[C@@H](O)[C@H](C[C@](O)([C@H]3O[C@H]3C1=O)[C@@H]2O)NC(=O)/C=C/C(=C/[C@@H](CCCCCC)C)C.CO
Title of publication	Targeted solid phase fermentation of the soil dwelling fungus Gymnascella dankaliensis yields new brominated tyrosine-derived alkaloids
Authors of publication	Wang, Hao; Dai, Haofu; Heering, Christian; Janiak, Christoph; Lin, Wenhan; Orfali, Raha S.; Müller, Werner E. G.; Liu, Zhen; Proksch, Peter
Journal of publication	RSC Adv.
Year of publication	2016
Journal volume	6
Journal issue	85
Pages of publication	81685
a	7.0251 ± 0.0003 Å
b	11.3852 ± 0.0005 Å
c	32.308 ± 0.0015 Å
α	90°
β	90°
γ	90°
Cell volume	2584.1 ± 0.2 Å³
Cell temperature	150 ± 2 K
Ambient diffraction temperature	150 ± 2 K
Number of distinct elements	5
Space group number	19
Hermann-Mauguin space group symbol	P 21 21 21
Hall space group symbol	P 2ac 2ab
Residual factor for all reflections	0.0747
Residual factor for significantly intense reflections	0.0626
Weighted residual factors for significantly intense reflections	0.1579
Weighted residual factors for all reflections included in the refinement	0.1637
Goodness-of-fit parameter for all reflections included in the refinement	1.092
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
186084 (current)	2016-08-31	cif/ Adding structures of 7226399 via cif-deposit CGI script.	7226399.cif