Crystallography Open Database

Information card for entry 4512593

Preview

Coordinates	4512593.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C84.65 H64.98 F24 N8.33 P4
Calculated formula	C84.664 H64.996 F24 N8.332 P4
Title of publication	Anticancer activity expressed by a library of 2,9-diazaperopyrenium dications.
Authors of publication	Hartlieb, Karel J.; Witus, Leah S.; Ferris, Daniel P.; Basuray, Ashish N.; Algaradah, Mohammed M.; Sarjeant, Amy A.; Stern, Charlotte L.; Nassar, Majed S.; Botros, Youssry Y.; Stoddart, J. Fraser
Journal of publication	ACS nano
Year of publication	2015
Journal volume	9
Journal issue	2
Pages of publication	1461 - 1470
a	34.0574 ± 0.0017 Å
b	34.0574 ± 0.0017 Å
c	6.9475 ± 0.0005 Å
α	90°
β	90°
γ	90°
Cell volume	8058.5 ± 0.8 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 K
Number of distinct elements	5
Space group number	85
Hermann-Mauguin space group symbol	P 4/n
Hall space group symbol	-P 4a
Residual factor for all reflections	0.0881
Residual factor for significantly intense reflections	0.0773
Weighted residual factors for significantly intense reflections	0.1879
Weighted residual factors for all reflections included in the refinement	0.1942
Goodness-of-fit parameter for all reflections included in the refinement	1.13
Diffraction radiation wavelength	1.54178 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
179672 (current)	2016-03-24	cif/4/51/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/51/25.	4512593.cif
132752	2015-03-04	cif/ Updating files of 4512593, 4512594, 4512595, 4512596 Original log message: Adding full bibliography for 4512593--4512596.cif.	4512593.cif
130350	2015-02-04	cif/ Adding structures of 4512593 via cif-deposit CGI script.	4512593.cif