Crystallography Open Database

Information card for entry 7112921

Preview

Coordinates	7112921.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C22.85 H25.4 N8 O8.85 Zn
Calculated formula	C22.85 H25.4 N8 O8.85 Zn
Title of publication	Inhibition of twisting of a green fluorescent protein-like chromophore by metal complexation.
Authors of publication	Baldridge, Anthony; Solntsev, Kyril M.; Song, Charles; Tanioka, Tatsuro; Kowalik, Janusz; Hardcastle, Kenneth; Tolbert, Laren M.
Journal of publication	Chemical communications (Cambridge, England)
Year of publication	2010
Journal volume	46
Journal issue	31
Pages of publication	5686 - 5688
a	15.4288 ± 0.0011 Å
b	7.6422 ± 0.0006 Å
c	22.522 ± 0.002 Å
α	90°
β	90.335 ± 0.006°
γ	90°
Cell volume	2655.5 ± 0.4 Å³
Cell temperature	173 ± 2 K
Ambient diffraction temperature	173 ± 2 K
Number of distinct elements	5
Space group number	7
Hermann-Mauguin space group symbol	P 1 n 1
Hall space group symbol	P -2yac
Residual factor for all reflections	0.1316
Residual factor for significantly intense reflections	0.0634
Weighted residual factors for significantly intense reflections	0.1399
Weighted residual factors for all reflections included in the refinement	0.173
Goodness-of-fit parameter for all reflections included in the refinement	1.029
Diffraction radiation wavelength	1.54178 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
176453 (current)	2016-02-16	cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 7.	7112921.cif
112162	2014-04-30	cif/ Adding structures of 7112921 via cif-deposit CGI script.	7112921.cif