Crystallography Open Database

Information card for entry 7235467

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Coordinates	7235467.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C15 H12 N4 O4
Calculated formula	C15 H12 N4 O4
Title of publication	Development of a cell permeable ratiometric chemosensor and biomarker for hydrogen sulphate ions in aqueous solution
Authors of publication	Sen, Buddhadeb; Mukherjee, Manjira; Pal, Siddhartha; Mandal, Sushil Kumar; Hundal, Maninder S.; Khuda-Bukhsh, Anisur Rahman; Chattopadhyay, Pabitra
Journal of publication	RSC Adv.
Year of publication	2014
Journal volume	4
Journal issue	30
Pages of publication	15356
a	7.187 ± 0.005 Å
b	8.453 ± 0.005 Å
c	12.382 ± 0.005 Å
α	93.382 ± 0.005°
β	95.364 ± 0.005°
γ	107.885 ± 0.005°
Cell volume	709.7 ± 0.7 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 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	0.0517
Residual factor for significantly intense reflections	0.0421
Weighted residual factors for significantly intense reflections	0.1262
Weighted residual factors for all reflections included in the refinement	0.1392
Goodness-of-fit parameter for all reflections included in the refinement	0.92
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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