Crystallography Open Database

Information card for entry 1542909

Preview

Coordinates	1542909.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C17 H19 N3 O2 S3
Calculated formula	C17 H19 N3 O2 S3
SMILES	c1(c(cccc1)O)C1=N[C@H](CS1)[C@@H]1SC[C@@H]2[C@@H]3N([C@H](C(=O)N12)CS3)C
Title of publication	Ulbactins F and G, Polycyclic Thiazoline Derivatives with Tumor Cell Migration Inhibitory Activity from Brevibacillus sp.
Authors of publication	Igarashi, Yasuhiro; Asano, Daisuke; Sawamura, Masashi; In, Yasuko; Ishida, Toshimasa; Imoto, Masaya
Journal of publication	Organic letters
Year of publication	2016
Journal volume	18
Journal issue	7
Pages of publication	1658 - 1661
a	6.088 ± 0.0007 Å
b	12.5452 ± 0.0013 Å
c	23.207 ± 0.002 Å
α	90°
β	90°
γ	90°
Cell volume	1772.4 ± 0.3 Å³
Cell temperature	200 ± 2 K
Ambient diffraction temperature	200 ± 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	0.12
Residual factor for significantly intense reflections	0.0998
Weighted residual factors for significantly intense reflections	0.2021
Weighted residual factors for all reflections included in the refinement	0.2117
Goodness-of-fit parameter for all reflections included in the refinement	1.21
Diffraction radiation wavelength	0.71069 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
181444 (current)	2016-04-04	cif/ Updating files of 1542909, 1542910 Original log message: Adding full bibliography for 1542909--1542910.cif.	1542909.cif
178851	2016-03-22	cif/ Adding structures of 1542909 via cif-deposit CGI script.	1542909.cif