Crystallography Open Database

Information card for entry 7247529

Preview

Coordinates	7247529.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C20 H20 O6 S
Calculated formula	C20 H20 O6 S
SMILES	S(=O)(=O)(c1ccc(cc1)C)[C@H]1C(C(=O)OC)([C@@H]1c1ccccc1)C(=O)OC.S(=O)(=O)(c1ccc(cc1)C)[C@@H]1C(C(=O)OC)([C@H]1c1ccccc1)C(=O)OC
Title of publication	Diastereoselective organophotocatalytic hydrosulfonylation of cyclopropenes
Authors of publication	Chandu, Palasetty; Biswas, Sourabh; Garai, Sumit; Sureshkumar, Devarajulu
Journal of publication	Green Chemistry
Year of publication	2023
Journal volume	25
Journal issue	22
Pages of publication	9086 - 9091
a	13.8459 ± 0.0001 Å
b	10.3707 ± 0.0001 Å
c	26.6399 ± 0.0003 Å
α	90°
β	90°
γ	90°
Cell volume	3825.27 ± 0.06 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	4
Space group number	60
Hermann-Mauguin space group symbol	P b c n
Hall space group symbol	-P 2n 2ab
Residual factor for all reflections	0.0432
Residual factor for significantly intense reflections	0.0382
Weighted residual factors for significantly intense reflections	0.1069
Weighted residual factors for all reflections included in the refinement	0.1114
Goodness-of-fit parameter for all reflections included in the refinement	1.073
Diffraction radiation probe	x-ray
Diffraction radiation wavelength	1.54184 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
288819 (current)	2024-01-06	cif/ Updating files of 7247529, 7247530, 7247531, 7247532, 7247533 Original log message: Adding full bibliography for 7247529--7247533.cif.	7247529.cif
287041	2023-10-20	cif/ Adding structures of 7247529, 7247530, 7247531, 7247532, 7247533 via cif-deposit CGI script.	7247529.cif