Crystallography Open Database

Information card for entry 4123421

Preview

Coordinates	4123421.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C42 H25 O13 Zn4
Calculated formula	C42 H25 O13 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	24.23 ± 0.002 Å
b	24.193 ± 0.002 Å
c	17.0847 ± 0.0016 Å
α	90°
β	92.957 ± 0.003°
γ	90°
Cell volume	10001.7 ± 1.5 Å³
Cell temperature	150 ± 2 K
Ambient diffraction temperature	150 ± 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	0.1003
Residual factor for significantly intense reflections	0.0533
Weighted residual factors for significantly intense reflections	0.1451
Weighted residual factors for all reflections included in the refinement	0.1585
Goodness-of-fit parameter for all reflections included in the refinement	0.816
Diffraction radiation wavelength	1.0332 Å
Diffraction radiation type	synchrotron
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
179036 (current)	2016-03-22	cif/4/12/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/12/34.	4123421.cif
132898	2015-03-04	cif/ Updating files of 4123421, 4123422 Original log message: Adding full bibliography for 4123421--4123422.cif.	4123421.cif
131654	2015-02-11	cif/ Adding structures of 4123421 via cif-deposit CGI script.	4123421.cif