Crystallography Open Database

Information card for entry 1514665

Preview

Coordinates	1514665.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C55 H54 F6 N O10 P
Calculated formula	C55 H54 F6 N O10 P
SMILES	c1ccc(cc1)C[NH2+]Cc1ccc2c3c1ccc1c3c(cc2)ccc1.[F-][P](F)(F)(F)(F)F.O=c1ccc2c(o1)cc1c(c2)OCCOCCOCCOc2c(OCCOCCOCCO1)cc1c(c2)cccc1
Title of publication	First demonstration of two-step FRET in a synthetic supramolecular assembly
Authors of publication	Suresh, Moorthy; Mandal, Amal Kumar; Suresh, E.; Das, Amitava
Journal of publication	Chemical Science
Year of publication	2013
Journal volume	4
Journal issue	6
Pages of publication	2380
a	14.0847 ± 0.0011 Å
b	15.7003 ± 0.0012 Å
c	25.3994 ± 0.0019 Å
α	90°
β	91.481 ± 0.002°
γ	90°
Cell volume	5614.8 ± 0.7 Å³
Cell temperature	110 ± 2 K
Ambient diffraction temperature	110 ± 2 K
Number of distinct elements	6
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	0.1771
Residual factor for significantly intense reflections	0.1183
Weighted residual factors for significantly intense reflections	0.293
Weighted residual factors for all reflections included in the refinement	0.3256
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	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
176729 (current)	2016-02-18	cif/ (antanas@echidna.ibt.lt) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 1.	1514665.cif
110217	2014-04-18	cif/ Adding structures of 1514665 via cif-deposit CGI script.	1514665.cif