Crystallography Open Database

Information card for entry 1571463

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Coordinates	1571463.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C29 H21 N5 O7
Calculated formula	C29 H21 N5 O7
Title of publication	Detection of TNP and Sulfite Ion in Aqueous Medium by Pyrazinium-based Chemosensor
Authors of publication	Pragya, Pragya; Rangan, Krishnan; Khungar, Bharti
Journal of publication	Sensors & Diagnostics
Year of publication	2024
a	17.3755 ± 0.0002 Å
b	19.6061 ± 0.0002 Å
c	15.0107 ± 0.0002 Å
α	90°
β	103.371 ± 0.001°
γ	90°
Cell volume	4975.02 ± 0.1 Å³
Cell temperature	93 ± 2 K
Ambient diffraction temperature	93 ± 2 K
Number of distinct elements	4
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	0.0592
Residual factor for significantly intense reflections	0.0557
Weighted residual factors for significantly intense reflections	0.1389
Weighted residual factors for all reflections included in the refinement	0.1412
Goodness-of-fit parameter for all reflections included in the refinement	1.058
Diffraction radiation probe	x-ray
Diffraction radiation wavelength	1.54184 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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