Crystallography Open Database

Information card for entry 1506078

Preview

Coordinates	1506078.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C29 H35 Ag2 Cl3 F6 N2 O16 S2
Calculated formula	C29 H35 Ag2 Cl3 F6 N2 O16 S2
Title of publication	Molecular rotors: design, synthesis, structural analysis, and silver complex of new [7.7]cyclophanes.
Authors of publication	Bogdan, Niculina; Grosu, Ion; Benoît, Guillaume; Toupet, Loïc; Ramondenc, Yvan; Condamine, Eric; Silaghi-Dumitrescu, Ioan; Plé, Gérard
Journal of publication	Organic letters
Year of publication	2006
Journal volume	8
Journal issue	12
Pages of publication	2619 - 2622
a	12.2013 ± 0.0002 Å
b	12.9722 ± 0.0002 Å
c	14.3899 ± 0.0003 Å
α	90.857 ± 0.001°
β	92.236 ± 0.001°
γ	116.566 ± 0.001°
Cell volume	2034.24 ± 0.06 Å³
Cell temperature	100 ± 1 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	8
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0282
Residual factor for significantly intense reflections	0.0258
Weighted residual factors for significantly intense reflections	0.0698
Weighted residual factors for all reflections included in the refinement	0.0726
Goodness-of-fit parameter for all reflections included in the refinement	1.066
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
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.	1506078.cif
120071	2014-07-11	Adding DOIs to range 1 structures.	1506078.cif
47979	2012-03-26	../uploads/cif-deposit/cod/cif Adding structures of 1506076, 1506077, 1506078 via cif-deposit CGI script.	1506078.cif