Information card for entry 4505866
Formula
C17 H16 N2 O4
Calculated formula
C17 H16 N2 O4
SMILES
n1ccc(cc1)/C=C/c1ccncc1.O=C(O)/C=C/CC(=O)O
Title of publication
Crystal Structure, Thermal Behavior, and Photochemical Reactivity of a Series of Co-Crystals oftrans-1,2-Bis(4-pyridyl) Ethylene with Dicarboxylic Acids
Authors of publication
Tsaggeos, Kostas; Masiera, Natalia; Niwicka, Aleksandra; Dokorou, Vassiliki; Siskos, Michael G.; Skoulika, Stavroula; Michaelides, Adonis
Journal of publication
Crystal Growth & Design
Year of publication
2012
Journal volume
12
Journal issue
5
Pages of publication
2187
a
10.679 ± 0.001 Å
b
4.524 ± 0.001 Å
c
18.025 ± 0.002 Å
α
90°
β
116.099 ± 0.009°
γ
90°
Cell volume
782 ± 0.2 Å3
Cell temperature
293 ± 2 K
Ambient diffraction temperature
293 ± 2 K
Number of distinct elements
4
Space group number
7
Hermann-Mauguin space group symbol
P 1 c 1
Hall space group symbol
P -2yc
Residual factor for all reflections
0.1043
Residual factor for significantly intense reflections
0.0572
Weighted residual factors for significantly intense reflections
0.1537
Weighted residual factors for all reflections included in the refinement
0.1837
Goodness-of-fit parameter for all reflections included in the refinement
1.078
Diffraction radiation wavelength
0.71073 Å
Diffraction radiation type
MoKα
Has coordinates
Yes
Has disorder
No
Has Fobs
No
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