Crystallography Open Database

Information card for entry 7156735

Preview

Coordinates	7156735.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C18 H19 I3 N2
Calculated formula	C18 H19 I3 N2
Title of publication	DANPY (dimethylaminonaphthylpyridinium): an economical and biocompatible fluorophore.
Authors of publication	Johnson, Lewis E.; Kingsbury, Jason S.; Elder, Delwin L.; Cattolico, Rose Ann; Latimer, Luke N.; Hardin, William; De Meulenaere, Evelien; Deodato, Chloe; Depotter, Griet; Madabushi, Sowmya; Bigelow, Nicholas W.; Smolarski, Brittany A.; Hougen, Trevor K.; Kaminsky, Werner; Clays, Koen; Robinson, Bruce H.
Journal of publication	Organic & biomolecular chemistry
Year of publication	2019
Journal volume	17
Journal issue	15
Pages of publication	3765 - 3780
a	28.113 ± 0.003 Å
b	13.907 ± 0.0015 Å
c	20.473 ± 0.002 Å
α	90°
β	94.807 ± 0.005°
γ	90°
Cell volume	7976.1 ± 1.4 Å³
Cell temperature	90 ± 2 K
Ambient diffraction temperature	90 ± 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	0.1019
Residual factor for significantly intense reflections	0.0559
Weighted residual factors for significantly intense reflections	0.1324
Weighted residual factors for all reflections included in the refinement	0.1481
Goodness-of-fit parameter for all reflections included in the refinement	1.061
Diffraction radiation probe	x-ray
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
225237 (current)	2019-11-08	cif/ Updating files of 7156735 Original log message: Adding full bibliography for 7156735.cif.	7156735.cif
214208	2019-03-20	cif/ Adding structures of 7156735 via cif-deposit CGI script.	7156735.cif