Crystallography Open Database

Information card for entry 7059711

Preview

Coordinates	7059711.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C15 H10 O5 S
Calculated formula	C15 H10 O5 S
Title of publication	Thieno[3,2-c]pyran: an ESIPT based fluorescence “turn-on” molecular chemosensor with AIE properties for the selective recognition of Zn2+ ion
Authors of publication	Singhal, Divya; Althagafi, Ismail; Kumar, Ashish; Yadav, Saroj; Prasad, Ashok K.; Pratap, Ramendra
Journal of publication	New Journal of Chemistry
Year of publication	2020
Journal volume	44
Journal issue	28
Pages of publication	12019 - 12026
a	13.2481 ± 0.0004 Å
b	8.2931 ± 0.0003 Å
c	12.1623 ± 0.0004 Å
α	90°
β	90°
γ	90°
Cell volume	1336.25 ± 0.08 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	4
Space group number	29
Hermann-Mauguin space group symbol	P c a 21
Hall space group symbol	P 2c -2ac
Residual factor for all reflections	0.0728
Residual factor for significantly intense reflections	0.0453
Weighted residual factors for significantly intense reflections	0.1124
Weighted residual factors for all reflections included in the refinement	0.1453
Goodness-of-fit parameter for all reflections included in the refinement	0.648
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

For the version history of this entry, please navigate to main COD server.
The link is: https://www.crystallography.net/7059711.html