Crystallography Open Database

Information card for entry 7109006

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Coordinates	7109006.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C32 H27 N3 O4 S
Calculated formula	C32 H27 N3 O4 S
Title of publication	A chemodosimeter for ratiometric detection of cyanide in aqueous media and human blood serum
Authors of publication	Sandeep Kumar; Prabhpreet Singh; Geeta Hundal; Maninder Singh Hundal; Subodh Kumar
Journal of publication	Chem.Commun.
Year of publication	2013
Journal volume	49
Pages of publication	2667
a	12.604 ± 0.008 Å
b	9.138 ± 0.004 Å
c	23.915 ± 0.016 Å
α	90°
β	97.91 ± 0.02°
γ	90°
Cell volume	2728 ± 3 Å³
Cell temperature	296 ± 2 K
Ambient diffraction temperature	296 ± 2 K
Number of distinct elements	5
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.1377
Residual factor for significantly intense reflections	0.0687
Weighted residual factors for significantly intense reflections	0.1574
Weighted residual factors for all reflections included in the refinement	0.1955
Goodness-of-fit parameter for all reflections included in the refinement	1.034
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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