Crystallography Open Database

Information card for entry 1549373

Preview

Coordinates	1549373.cif
Original paper (by DOI)	HTML

Structure parameters

Chemical name	Pyxidicycline A
Formula	C22 H17 N O9
Calculated formula	C22 H17 N O9
SMILES	n1(c(=O)cc2C(=O)c3cc4cccc(O)c4c(O)c3C(=O)c2c1C)CCOC=O.O=CO
Title of publication	Self-resistance guided genome mining uncovers new topoisomerase inhibitors from myxobacteria.
Authors of publication	Panter, Fabian; Krug, Daniel; Baumann, Sascha; Müller, Rolf
Journal of publication	Chemical science
Year of publication	2018
Journal volume	9
Journal issue	21
Pages of publication	4898 - 4908
a	7.0231 ± 0.0008 Å
b	17.534 ± 0.002 Å
c	14.6817 ± 0.0019 Å
α	90°
β	90°
γ	90°
Cell volume	1807.9 ± 0.4 Å³
Cell temperature	152 ± 2 K
Ambient diffraction temperature	152 ± 2 K
Number of distinct elements	4
Space group number	29
Hermann-Mauguin space group symbol	P c a 21
Hall space group symbol	P 2c -2ac
Residual factor for all reflections	0.0653
Residual factor for significantly intense reflections	0.0452
Weighted residual factors for significantly intense reflections	0.1135
Weighted residual factors for all reflections included in the refinement	0.1236
Goodness-of-fit parameter for all reflections included in the refinement	1.054
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
228835 (current)	2019-11-17	cif/ Updating files of 1549373, 1549374 Original log message: Adding full bibliography for 1549373--1549374.cif.	1549373.cif
207643	2018-05-03	cif/ Adding structures of 1549373, 1549374 via cif-deposit CGI script.	1549373.cif