Crystallography Open Database

Information card for entry 4029706

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Coordinates	4029706.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C14 H14 N4
Calculated formula	C14 H14 N4
Title of publication	Amino-substituted diazocines as pincer-type photochromic switches.
Authors of publication	Sell, Hanno; Näther, Christian; Herges, Rainer
Journal of publication	Beilstein journal of organic chemistry
Year of publication	2013
Journal volume	9
Pages of publication	1 - 7
a	25.9277 ± 0.0015 Å
b	7.9561 ± 0.0006 Å
c	13.1658 ± 0.0007 Å
α	90°
β	120.28 ± 0.006°
γ	90°
Cell volume	2345.4 ± 0.3 Å³
Cell temperature	200 ± 2 K
Ambient diffraction temperature	200 ± 2 K
Number of distinct elements	3
Space group number	15
Hermann-Mauguin space group symbol	C 1 2/c 1
Hall space group symbol	-C 2yc
Residual factor for all reflections	0.0603
Residual factor for significantly intense reflections	0.041
Weighted residual factors for significantly intense reflections	0.0962
Weighted residual factors for all reflections included in the refinement	0.1039
Goodness-of-fit parameter for all reflections included in the refinement	1.038
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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