Crystallography Open Database

Information card for entry 4107586

Preview

Coordinates	4107586.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C17 H15 B F2 N4 O4.28
Calculated formula	C17 H15 B F2 N4 O4.27
Title of publication	Syntheses of Highly Fluorescent GFP-Chromophore Analogues
Authors of publication	Liangxing Wu; Kevin Burgess
Journal of publication	Journal of the American Chemical Society
Year of publication	2008
Journal volume	130
Pages of publication	4089 - 4096
a	7.0047 ± 0.0007 Å
b	21.173 ± 0.002 Å
c	24.097 ± 0.002 Å
α	90°
β	95.857 ± 0.005°
γ	90°
Cell volume	3555.2 ± 0.6 Å³
Cell temperature	273 ± 2 K
Ambient diffraction temperature	273 ± 2 K
Number of distinct elements	6
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.1332
Residual factor for significantly intense reflections	0.0651
Weighted residual factors for significantly intense reflections	0.1671
Weighted residual factors for all reflections included in the refinement	0.2069
Goodness-of-fit parameter for all reflections included in the refinement	0.968
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
178821 (current)	2016-03-21	cif/4/10/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/10/75.	4107586.cif
120076	2014-07-11	Adding DOIs to range 4/10 structures.	4107586.cif
55272	2012-05-04	cif/ Adding structures of 4107586 via cif-deposit CGI script.	4107586.cif