Crystallography Open Database

Information card for entry 1542555

Preview

Coordinates	1542555.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C69 H62.5 Cl6 I6 N12 Zn3
Calculated formula	C69 H62.5 Cl6 I6 N12 Zn3
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	35.7365 ± 0.0013 Å
b	15.061 ± 0.0005 Å
c	30.9345 ± 0.0011 Å
α	90°
β	104.141 ± 0.007°
γ	90°
Cell volume	16145.3 ± 1.1 Å³
Cell temperature	93 ± 2 K
Ambient diffraction temperature	93 ± 2 K
Number of distinct elements	6
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	0.13
Residual factor for significantly intense reflections	0.078
Weighted residual factors for significantly intense reflections	0.2382
Weighted residual factors for all reflections included in the refinement	0.2736
Goodness-of-fit parameter for all reflections included in the refinement	1.065
Diffraction radiation wavelength	0.71075 Å
Diffraction radiation type	MoKα
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.	1542555.cif
176897	2016-02-25	cif/ Adding structures of 1542555, 1542556, 1542557 via cif-deposit CGI script.	1542555.cif