Crystallography Open Database

Information card for entry 7159192

Preview

Coordinates	7159192.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C34 H40 O11 S
Calculated formula	C34 H40 O11 S
Title of publication	One-pot synthesis of sulfonyl dibenzosuberdiones <i>via</i> In(OTf)<sub>3</sub>-promoted double Friedel-Crafts reactions of oxygenated arylacetic acids with β-arylvinyl sulfones.
Authors of publication	Chang, Meng-Yang; Lin, Chun-Yi
Journal of publication	Organic & biomolecular chemistry
Year of publication	2023
Journal volume	21
Journal issue	11
Pages of publication	2405 - 2416
a	21.9528 ± 0.0008 Å
b	12.0021 ± 0.0005 Å
c	12.5898 ± 0.0005 Å
α	90°
β	91.55 ± 0.004°
γ	90°
Cell volume	3315.9 ± 0.2 Å³
Cell temperature	113 ± 2 K
Ambient diffraction temperature	113 ± 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	0.1074
Residual factor for significantly intense reflections	0.0924
Weighted residual factors for significantly intense reflections	0.2411
Weighted residual factors for all reflections included in the refinement	0.2489
Goodness-of-fit parameter for all reflections included in the refinement	1.091
Diffraction radiation probe	x-ray
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
283476 (current)	2023-05-05	cif/ Updating files of 7159184, 7159185, 7159186, 7159187, 7159188, 7159189, 7159190, 7159191, 7159192 Original log message: Adding full bibliography for 7159184--7159192.cif.	7159192.cif
281126	2023-02-24	cif/ Adding structures of 7159184, 7159185, 7159186, 7159187, 7159188, 7159189, 7159190, 7159191, 7159192 via cif-deposit CGI script.	7159192.cif