Crystallography Open Database

Information card for entry 4123422

Preview

Coordinates	4123422.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C42 H24.5 O13.25 Zn4
Calculated formula	C42 H24 O13.25 Zn4
Title of publication	Mimic of the Green Fluorescent Protein β-Barrel: Photophysics and Dynamics of Confined Chromophores Defined by a Rigid Porous Scaffold.
Authors of publication	Williams, Derek E.; Dolgopolova, Ekaterina A.; Pellechia, Perry J.; Palukoshka, Andrei; Wilson, Thomas J.; Tan, Rui; Maier, Josef M.; Greytak, Andrew B.; Smith, Mark D.; Krause, Jeanette A.; Shustova, Natalia B.
Journal of publication	Journal of the American Chemical Society
Year of publication	2015
Journal volume	137
Journal issue	6
Pages of publication	2223 - 2226
a	24.117 ± 0.002 Å
b	24.219 ± 0.002 Å
c	17.0669 ± 0.0017 Å
α	90°
β	92.381 ± 0.002°
γ	90°
Cell volume	9960 ± 1.5 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	4
Space group number	12
Hermann-Mauguin space group symbol	C 1 2/m 1
Hall space group symbol	-C 2y
Residual factor for all reflections	0.0967
Residual factor for significantly intense reflections	0.0656
Weighted residual factors for significantly intense reflections	0.1927
Weighted residual factors for all reflections included in the refinement	0.205
Goodness-of-fit parameter for all reflections included in the refinement	0.958
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
176467 (current)	2016-02-16	cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 4.	4123422.cif
132898	2015-03-04	cif/ Updating files of 4123421, 4123422 Original log message: Adding full bibliography for 4123421--4123422.cif.	4123422.cif
131655	2015-02-11	cif/ Adding structures of 4123422 via cif-deposit CGI script.	4123422.cif