Crystallography Open Database

Information card for entry 4326328

Preview

Coordinates	4326328.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C25 H11 Br O6
Calculated formula	C25 H13 Br O6
SMILES	Brc1cc2C3(OC(=O)c4ccccc34)c3ccc(O)c(C=O)c3Oc2c2c1cc(O)cc2
Title of publication	Seminaphthofluorescein-Based Fluorescent Probes for Imaging Nitric Oxide in Live Cells
Authors of publication	Michael D. Pluth; Maria R. Chan; Lindsey E. McQuade; Stephen J. Lippard
Journal of publication	Inorganic Chemistry
Year of publication	2011
Journal volume	50
Pages of publication	9385 - 9392
a	12.341 ± 0.0017 Å
b	9.2424 ± 0.0013 Å
c	18.168 ± 0.003 Å
α	90°
β	101.631 ± 0.002°
γ	90°
Cell volume	2029.7 ± 0.5 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	4
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/n 1
Hall space group symbol	-P 2yn
Residual factor for all reflections	0.0559
Residual factor for significantly intense reflections	0.0418
Weighted residual factors for significantly intense reflections	0.1052
Weighted residual factors for all reflections included in the refinement	0.1153
Goodness-of-fit parameter for all reflections included in the refinement	1.059
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
179366 (current)	2016-03-23	cif/4/32/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/32/63.	4326328.cif
91935	2013-12-29	cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs.	4326328.cif
48492	2012-03-26	../uploads/cif-deposit/cod/cif Adding structures of 4326328 via cif-deposit CGI script.	4326328.cif