Crystallography Open Database

Information card for entry 7058039

Preview

Coordinates	7058039.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C12 H10 O2 S
Calculated formula	C12 H10 O2 S
Title of publication	An efficient heterogeneous copper fluorapatite (CuFAP)-catalysed oxidative synthesis of diaryl sulfone under mild ligand- and base-free conditions
Authors of publication	Kamble, Rohit B.; Chavan, Santosh S.; Suryavanshi, Gurunath
Journal of publication	New Journal of Chemistry
Year of publication	2019
Journal volume	43
Journal issue	3
Pages of publication	1632
a	11.272 ± 0.005 Å
b	7.645 ± 0.006 Å
c	12.12 ± 0.008 Å
α	90°
β	96.36 ± 0.03°
γ	90°
Cell volume	1038 ± 1.2 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	4
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	0.0475
Residual factor for significantly intense reflections	0.0391
Weighted residual factors for significantly intense reflections	0.0954
Weighted residual factors for all reflections included in the refinement	0.1028
Goodness-of-fit parameter for all reflections included in the refinement	1.115
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
225013 (current)	2019-11-08	cif/ Updating files of 7058039 Original log message: Adding full bibliography for 7058039.cif.	7058039.cif
212543	2018-12-12	cif/ Adding structures of 7058039 via cif-deposit CGI script.	7058039.cif