Crystallography Open Database

Information card for entry 4107588

Preview

Coordinates	4107588.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C17 H15 B F2 N4 O3
Calculated formula	C17 H15 B F2 N4 O3
SMILES	[B]1(F)(F)[n]2c(=Cc3c(n(c(c4ccc(cc4)N(=O)=O)n3)C)O1)c(cc2C)C
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	7.2703 ± 0.0004 Å
b	14.6609 ± 0.0009 Å
c	15.5558 ± 0.0009 Å
α	76.599 ± 0.005°
β	86.107 ± 0.003°
γ	86.382 ± 0.003°
Cell volume	1607.29 ± 0.17 Å³
Cell temperature	110 ± 2 K
Ambient diffraction temperature	110 ± 2 K
Number of distinct elements	6
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0502
Residual factor for significantly intense reflections	0.0403
Weighted residual factors for significantly intense reflections	0.1041
Weighted residual factors for all reflections included in the refinement	0.1077
Goodness-of-fit parameter for all reflections included in the refinement	1.007
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.	4107588.cif
120076	2014-07-11	Adding DOIs to range 4/10 structures.	4107588.cif
55274	2012-05-04	cif/ Adding structures of 4107588 via cif-deposit CGI script.	4107588.cif