Crystallography Open Database

Information card for entry 7063200

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Coordinates	7063200.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C16 H13 F3 N2 O4 S
Calculated formula	C16 H13 F3 N2 O4 S
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	6.6963 ± 0.0006 Å
b	7.3887 ± 0.0006 Å
c	17.6221 ± 0.0016 Å
α	80.201 ± 0.003°
β	81.214 ± 0.003°
γ	76.968 ± 0.003°
Cell volume	831.08 ± 0.13 Å³
Cell temperature	296 ± 2 K
Ambient diffraction temperature	296 ± 2 K
Number of distinct elements	6
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0579
Residual factor for significantly intense reflections	0.0517
Weighted residual factors for significantly intense reflections	0.1318
Weighted residual factors for all reflections included in the refinement	0.1371
Goodness-of-fit parameter for all reflections included in the refinement	1.074
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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