Crystallography Open Database

Information card for entry 1542557

Preview

Coordinates	1542557.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C134.29 H138.92 I12 N24 O8.41 Zn6
Calculated formula	C134.295 H138.93 I12 N24 O8.415 Zn6
Title of publication	Structure determination of microbial metabolites by the crystalline sponge method
Authors of publication	Inokuma, Yasuhide; Ukegawa, Tomoya; Hoshino, Manabu; Fujita, Makoto
Journal of publication	Chem. Sci.
Year of publication	2016
Journal volume	7
Journal issue	6
Pages of publication	3910
a	34.7707 ± 0.0006 Å
b	14.8406 ± 0.0003 Å
c	31.2152 ± 0.0005 Å
α	90°
β	102.601 ± 0.002°
γ	90°
Cell volume	15719.6 ± 0.5 Å³
Cell temperature	93 ± 2 K
Ambient diffraction temperature	93 ± 2 K
Number of distinct elements	6
Space group number	5
Hermann-Mauguin space group symbol	C 1 2 1
Hall space group symbol	C 2y
Residual factor for all reflections	0.0935
Residual factor for significantly intense reflections	0.0788
Weighted residual factors for significantly intense reflections	0.2091
Weighted residual factors for all reflections included in the refinement	0.2259
Goodness-of-fit parameter for all reflections included in the refinement	1.005
Diffraction radiation wavelength	1.54184 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
185139 (current)	2016-08-07	cif/ Updating files of 1542555, 1542556, 1542557 Original log message: Adding full bibliography for 1542555--1542557.cif.	1542557.cif
176897	2016-02-25	cif/ Adding structures of 1542555, 1542556, 1542557 via cif-deposit CGI script.	1542557.cif