Crystallography Open Database

Information card for entry 7247531

Preview

Coordinates	7247531.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C24 H0.25 O4 S
Calculated formula	C24 H22 O4 S
SMILES	S(=O)(=O)([C@H]1[C@]([C@@H]1c1ccccc1)(c1ccccc1)C(=O)OC)c1ccc(cc1)C.S(=O)(=O)([C@@H]1[C@@]([C@H]1c1ccccc1)(c1ccccc1)C(=O)OC)c1ccc(cc1)C
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	12.5068 ± 0.0001 Å
b	10.9444 ± 0.0001 Å
c	15.0198 ± 0.0001 Å
α	90°
β	99.867 ± 0.001°
γ	90°
Cell volume	2025.49 ± 0.03 Å³
Cell temperature	100 ± 5 K
Ambient diffraction temperature	100 ± 5 K
Number of distinct elements	4
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/n 1
Hall space group symbol	-P 2yn
Residual factor for all reflections	0.0344
Residual factor for significantly intense reflections	0.0331
Weighted residual factors for significantly intense reflections	0.0907
Weighted residual factors for all reflections included in the refinement	0.0919
Goodness-of-fit parameter for all reflections included in the refinement	1.054
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.	7247531.cif
287041	2023-10-20	cif/ Adding structures of 7247529, 7247530, 7247531, 7247532, 7247533 via cif-deposit CGI script.	7247531.cif