Crystallography Open Database

Information card for entry 7063201

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Coordinates	7063201.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C28 H20 N4 O2
Calculated formula	C28 H20 N4 O2
Title of publication	3-Pyridylvinyl benzoxazole-derived multifunctional organic materials—from solid-state photoreactivity to photophysical and electrochemical properties
Authors of publication	Baskar, Shyamvarnan; Kole, Goutam Kumar
Journal of publication	New Journal of Chemistry
Year of publication	2024
Journal volume	48
Journal issue	22
Pages of publication	10213 - 10225
a	6.4328 ± 0.0015 Å
b	9.342 ± 0.003 Å
c	9.841 ± 0.003 Å
α	105.347 ± 0.008°
β	105.02 ± 0.007°
γ	91.233 ± 0.006°
Cell volume	548.2 ± 0.3 Å³
Cell temperature	296 ± 2 K
Ambient diffraction temperature	296 ± 2 K
Number of distinct elements	4
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0489
Residual factor for significantly intense reflections	0.0405
Weighted residual factors for significantly intense reflections	0.092
Weighted residual factors for all reflections included in the refinement	0.0975
Goodness-of-fit parameter for all reflections included in the refinement	1.1
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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