Crystallography Open Database

Information card for entry 1547982

Preview

Coordinates	1547982.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C77 H59 N7 O4
Calculated formula	C75.5 H57.75 N7 O4
Title of publication	A switchable self-assembling and disassembling chiral system based on a porphyrin-substituted phenylalanine-phenylalanine motif
Authors of publication	Georgios Charalambidis; Evangelos Georgilis; Manas K. Panda; Christopher E. Anson; Annie K. Powell; Stephen Doyle; David Moss; Tobias Jochum; Peter N. Horton; Simon J. Coles; Mathieu Linares; David Beljonne; Jean-Valere Naubron; Jonas Conradt; Heinz Kalt; Anna Mitraki; Athanassios G. Coutsolelos; Teodor Silviu Balaban
Journal of publication	Nature Communications
Year of publication	2016
Journal volume	7
Pages of publication	12657
a	16.43 ± 0.03 Å
b	10.012 ± 0.015 Å
c	44.3 ± 0.09 Å
α	90°
β	95.65 ± 0.08°
γ	90°
Cell volume	7252 ± 2 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	4
Space group number	4
Hermann-Mauguin space group symbol	P 1 21 1
Hall space group symbol	P 2yb
Residual factor for all reflections	0.5577
Residual factor for significantly intense reflections	0.3323
Weighted residual factors for significantly intense reflections	0.5374
Weighted residual factors for all reflections included in the refinement	0.6531
Goodness-of-fit parameter for all reflections included in the refinement	1.586
Diffraction radiation wavelength	0.6889 Å
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
203071 (current)	2017-11-10	cif/ Adding structures of 1547982 via cif-deposit CGI script.	1547982.cif