Crystallography Open Database

Information card for entry 4105257

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Coordinates	4105257.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C14 H12 N2
Calculated formula	C14 H12 N2
Title of publication	Highly Efficient Reversible Z-E Photoisomerization of a Bridged Azobenzene with Visible Light through Resolved S1(nπ*) Absorption Bands
Authors of publication	Ron Siewertsen; Hendrikje Neumann; Bengt Buchheim-Stehn; Rainer Herges; Christian Näther; Falk Renth; Friedrich Temps
Journal of publication	Journal of the American Chemical Society
Year of publication	2009
Journal volume	131
Pages of publication	15594 - 15595
a	8.509 ± 0.0006 Å
b	13.1425 ± 0.0007 Å
c	9.904 ± 0.0006 Å
α	90°
β	92.759 ± 0.008°
γ	90°
Cell volume	1106.28 ± 0.12 Å³
Cell temperature	170 ± 2 K
Ambient diffraction temperature	170 ± 2 K
Number of distinct elements	3
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/n 1
Hall space group symbol	-P 2yn
Residual factor for all reflections	0.0682
Residual factor for significantly intense reflections	0.0481
Weighted residual factors for significantly intense reflections	0.1251
Weighted residual factors for all reflections included in the refinement	0.1372
Goodness-of-fit parameter for all reflections included in the refinement	1.048
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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