Crystallography Open Database

Information card for entry 4123574

Preview

Coordinates	4123574.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C24 H20 F3 N3 O2
Calculated formula	C24 H20 F3 N3 O2
Title of publication	Targeted metagenomics: finding rare tryptophan dimer natural products in the environment.
Authors of publication	Chang, Fang-Yuan; Ternei, Melinda A.; Calle, Paula Y.; Brady, Sean F.
Journal of publication	Journal of the American Chemical Society
Year of publication	2015
Journal volume	137
Journal issue	18
Pages of publication	6044 - 6052
a	28.3226 ± 0.0019 Å
b	10.5984 ± 0.0007 Å
c	16.3567 ± 0.0008 Å
α	90°
β	113.507 ± 0.003°
γ	90°
Cell volume	4502.4 ± 0.5 Å³
Cell temperature	203 ± 2 K
Ambient diffraction temperature	203 ± 2 K
Number of distinct elements	5
Space group number	15
Hermann-Mauguin space group symbol	C 1 2/c 1
Hall space group symbol	-C 2yc
Residual factor for all reflections	0.0738
Residual factor for significantly intense reflections	0.0486
Weighted residual factors for significantly intense reflections	0.1383
Weighted residual factors for all reflections included in the refinement	0.1502
Goodness-of-fit parameter for all reflections included in the refinement	1.058
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
176428 (current)	2016-02-13	Replaced deprecated COD CIF data names with their more modern alternatives. The _cod_cif_authors_sg_Hall and _cod_cif_authors_sg_H-M data items were renamed to _cod_original_sg_symbol_Hall and _cod_cif_authors_sg_H-M respectively.	4123574.cif
138203	2015-06-05	cif/ Updating files of 4123574 Original log message: Adding full bibliography for 4123574.cif.	4123574.cif
136274	2015-05-13	cif/ Adding structures of 4123574 via cif-deposit CGI script.	4123574.cif