Crystallography Open Database

Information card for entry 1506077

Preview

Coordinates	1506077.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C13 H15 N O4
Calculated formula	C13 H15 N O4
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	6.3417 ± 0.0001 Å
b	20.5313 ± 0.0003 Å
c	9.4744 ± 0.0002 Å
α	90°
β	96.329 ± 0.001°
γ	90°
Cell volume	1226.08 ± 0.04 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	4
Space group number	11
Hermann-Mauguin space group symbol	P 1 21/m 1
Hall space group symbol	-P 2yb
Residual factor for all reflections	0.0683
Residual factor for significantly intense reflections	0.0493
Weighted residual factors for significantly intense reflections	0.1584
Weighted residual factors for all reflections included in the refinement	0.1903
Goodness-of-fit parameter for all reflections included in the refinement	1.1
Diffraction radiation wavelength	0.71069 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.	1506077.cif
120071	2014-07-11	Adding DOIs to range 1 structures.	1506077.cif
47979	2012-03-26	../uploads/cif-deposit/cod/cif Adding structures of 1506076, 1506077, 1506078 via cif-deposit CGI script.	1506077.cif