Crystallography Open Database

Information card for entry 4112116

Preview

Coordinates	4112116.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C34 H31 N O4
Calculated formula	C34 H31 N O4
SMILES	O(C)c1ccc2C(=O)c3ccccc3/C(=C/3c4c5ccccc5ccc4N(CC3C)C(=O)OC(C)(C)C)c2c1
Title of publication	Acceleration of a Nanomotor: Electronic Control of the Rotary Speed of a Light-Driven Molecular Rotor
Authors of publication	Dirk Pijper; Richard A. van Delden; Auke Meetsma; Ben L. Feringa
Journal of publication	Journal of the American Chemical Society
Year of publication	2005
Journal volume	127
Pages of publication	17612 - 17613
a	11.2557 ± 0.0008 Å
b	16.854 ± 0.001 Å
c	29.162 ± 0.002 Å
α	90°
β	91.056 ± 0.001°
γ	90°
Cell volume	5531.2 ± 0.6 Å³
Cell temperature	294 ± 1 K
Ambient diffraction temperature	294 ± 1 K
Number of distinct elements	4
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.1502
Residual factor for significantly intense reflections	0.0679
Weighted residual factors for significantly intense reflections	0.1614
Weighted residual factors for all reflections included in the refinement	0.1921
Goodness-of-fit parameter for all reflections included in the refinement	0.939
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
178892 (current)	2016-03-22	cif/4/11/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/11/21.	4112116.cif
120077	2014-07-12	Adding DOIs to range 4/11 structures.	4112116.cif
63737	2012-08-06	cif/ Adding structures of 4112116 via cif-deposit CGI script.	4112116.cif