Crystallography Open Database

Information card for entry 4512594

Preview

Coordinates	4512594.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C98 H96 F36 N8 O16 P6
Calculated formula	C98 H96 F36 N8 O16 P6
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	35.4484 ± 0.0013 Å
b	10.5194 ± 0.0004 Å
c	29.0669 ± 0.001 Å
α	90°
β	109.864 ± 0.002°
γ	90°
Cell volume	10194 ± 0.7 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	99.99 K
Number of distinct elements	6
Space group number	9
Hermann-Mauguin space group symbol	C 1 c 1
Hall space group symbol	C -2yc
Residual factor for all reflections	0.0836
Residual factor for significantly intense reflections	0.07
Weighted residual factors for significantly intense reflections	0.1825
Weighted residual factors for all reflections included in the refinement	0.1959
Goodness-of-fit parameter for all reflections included in the refinement	1.035
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.	4512594.cif
132752	2015-03-04	cif/ Updating files of 4512593, 4512594, 4512595, 4512596 Original log message: Adding full bibliography for 4512593--4512596.cif.	4512594.cif
130351	2015-02-04	cif/ Adding structures of 4512594 via cif-deposit CGI script.	4512594.cif