Crystallography Open Database

Information card for entry 7245397

Preview

Coordinates	7245397.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C15 H14 O3 S
Calculated formula	C15 H14 O3 S
SMILES	S(=O)(=O)(c1ccccc1)CC(=O)c1ccc(cc1)C
Title of publication	Visible-light-mediated synthesis of β-keto sulfones using g-C3N4 as a recyclable photocatalyst under sustainable conditions
Authors of publication	Dam, Binoyargha; Sahoo, Ashish Kumar; Patel, Bhisma K.
Journal of publication	Green Chemistry
Year of publication	2022
Journal volume	24
Journal issue	18
Pages of publication	7122 - 7130
a	11.5468 ± 0.0016 Å
b	10.2038 ± 0.0011 Å
c	22.824 ± 0.003 Å
α	90°
β	90°
γ	90°
Cell volume	2689.2 ± 0.6 Å³
Cell temperature	296 ± 2 K
Ambient diffraction temperature	296 ± 2 K
Number of distinct elements	4
Space group number	61
Hermann-Mauguin space group symbol	P b c a
Hall space group symbol	-P 2ac 2ab
Residual factor for all reflections	0.1411
Residual factor for significantly intense reflections	0.0621
Weighted residual factors for significantly intense reflections	0.1496
Weighted residual factors for all reflections included in the refinement	0.2039
Goodness-of-fit parameter for all reflections included in the refinement	1.06
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
278432 (current)	2022-10-07	cif/ Updating files of 7245396, 7245397 Original log message: Adding full bibliography for 7245396--7245397.cif.	7245397.cif
277518	2022-09-01	cif/ Adding structures of 7245396, 7245397 via cif-deposit CGI script.	7245397.cif