Crystallography Open Database

Information card for entry 7240514

Preview

Coordinates	7240514.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C26 H26 O5 S
Calculated formula	C26 H26 O5 S
Title of publication	In(OTf)3-catalyzed intramolecular hydroarylation of α-phenylallyl β-ketosulfones ‒ synthesis of sulfonyl 1-benzosuberones and 1-tetralones
Authors of publication	Chang, Meng-Yang; Lai, Kai-Xiang; Chang, Yu-Lun
Journal of publication	RSC Advances
Year of publication	2020
Journal volume	10
Journal issue	31
Pages of publication	18231 - 18244
a	17.4857 ± 0.0009 Å
b	9.6877 ± 0.0005 Å
c	17.1467 ± 0.0009 Å
α	90°
β	118.713 ± 0.003°
γ	90°
Cell volume	2547.4 ± 0.2 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	0.0524
Residual factor for significantly intense reflections	0.0395
Weighted residual factors for significantly intense reflections	0.0935
Weighted residual factors for all reflections included in the refinement	0.1009
Goodness-of-fit parameter for all reflections included in the refinement	1.032
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
258102 (current)	2020-10-06	cif/ Updating files of 7240513, 7240514, 7240515, 7240516 Original log message: Adding full bibliography for 7240513--7240516.cif.	7240514.cif
252046	2020-05-14	cif/ Adding structures of 7240513, 7240514, 7240515, 7240516 via cif-deposit CGI script.	7240514.cif