Crystallography Open Database

Information card for entry 4111985

4111984 << 4111985 >> 4111986

Preview

Coordinates	4111985.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C36 H40
Calculated formula	C36 H40
Title of publication	Light-Driven Molecular Motors: Stepwise Thermal Helix Inversion during Unidirectional Rotation of Sterically Overcrowded Biphenanthrylidenes
Authors of publication	Matthijs K. J. ter Wiel; 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	14208 - 14222
a	18.161 ± 0.002 Å
b	7.3428 ± 0.0007 Å
c	22.132 ± 0.002 Å
α	90°
β	113.698 ± 0.002°
γ	90°
Cell volume	2702.5 ± 0.5 Å³
Cell temperature	110 K
Ambient diffraction temperature	110 ± 2 K
Number of distinct elements	2
Space group number	13
Hermann-Mauguin space group symbol	P 1 2/a 1
Hall space group symbol	-P 2ya
Residual factor for all reflections	0.0865
Residual factor for significantly intense reflections	0.0507
Weighted residual factors for significantly intense reflections	0.1119
Weighted residual factors for all reflections included in the refinement	0.1278
Goodness-of-fit parameter for all reflections included in the refinement	1.02
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
178890 (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 4/11/19.	4111985.cif
120077	2014-07-12	Adding DOIs to range 4/11 structures.	4111985.cif
63602	2012-08-05	cif/ Adding structures of 4111985 via cif-deposit CGI script.	4111985.cif