Crystallography Open Database

Information card for entry 7063603

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Coordinates	7063603.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C23 H20 N2 O2 S
Calculated formula	C23 H20 N2 O2 S
Title of publication	A turn-on benzothiazole-based fluorescent probe for rapid cysteine detection in living cells
Authors of publication	Wang, Kaimin; Dong, Jianning; Sun, Leilei; Tu, Yayi; Pu, Shouzhi; Fan, Congbin
Journal of publication	New Journal of Chemistry
Year of publication	2025
Journal volume	49
Journal issue	5
Pages of publication	1718 - 1724
a	6.1862 ± 0.0001 Å
b	10.9811 ± 0.0002 Å
c	14.9277 ± 0.0002 Å
α	68.947 ± 0.001°
β	87.848 ± 0.001°
γ	78.761 ± 0.001°
Cell volume	927.64 ± 0.03 Å³
Cell temperature	293 K
Ambient diffraction temperature	293 K
Number of distinct elements	5
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0401
Residual factor for significantly intense reflections	0.0385
Weighted residual factors for significantly intense reflections	0.1104
Weighted residual factors for all reflections included in the refinement	0.1124
Goodness-of-fit parameter for all reflections included in the refinement	1.046
Diffraction radiation wavelength	1.54178 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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