Crystallography Open Database

Information card for entry 4107585

Preview

Coordinates	4107585.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C17 H15 B F2 I N3 O
Calculated formula	C17 H15 B F2 I N3 O
SMILES	Ic1ccc(C2=[N]3[B](F)(F)n4c(C=C3C(=O)N2C)c(cc4C)C)cc1
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	9.2865 ± 0.0019 Å
b	9.557 ± 0.002 Å
c	11.18 ± 0.002 Å
α	76.516 ± 0.003°
β	68.717 ± 0.003°
γ	79.799 ± 0.003°
Cell volume	894.4 ± 0.3 Å³
Cell temperature	110 ± 2 K
Ambient diffraction temperature	110 ± 2 K
Number of distinct elements	7
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0379
Residual factor for significantly intense reflections	0.0327
Weighted residual factors for significantly intense reflections	0.0778
Weighted residual factors for all reflections included in the refinement	0.0804
Goodness-of-fit parameter for all reflections included in the refinement	1.075
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
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.	4107585.cif
120076	2014-07-11	Adding DOIs to range 4/10 structures.	4107585.cif
55271	2012-05-04	cif/ Adding structures of 4107585 via cif-deposit CGI script.	4107585.cif