Crystallography Open Database

Information card for entry 7247530

Preview

Coordinates	7247530.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C25 H24 O4 S
Calculated formula	C25 H24 O4 S
SMILES	S(=O)(=O)([C@]1([C@@]([C@@H]1c1ccccc1)(C(=O)OC)c1ccccc1)C)c1ccc(cc1)C.S(=O)(=O)([C@@]1([C@]([C@H]1c1ccccc1)(C(=O)OC)c1ccccc1)C)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	9.6633 ± 0.0005 Å
b	10.4825 ± 0.0005 Å
c	11.2824 ± 0.0007 Å
α	84.233 ± 0.004°
β	68.85 ± 0.005°
γ	83.784 ± 0.004°
Cell volume	1057.28 ± 0.11 Å³
Cell temperature	100 ± 0.13 K
Ambient diffraction temperature	100 ± 0.13 K
Number of distinct elements	4
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0807
Residual factor for significantly intense reflections	0.0784
Weighted residual factors for significantly intense reflections	0.2295
Weighted residual factors for all reflections included in the refinement	0.2302
Goodness-of-fit parameter for all reflections included in the refinement	1.104
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.	7247530.cif
287041	2023-10-20	cif/ Adding structures of 7247529, 7247530, 7247531, 7247532, 7247533 via cif-deposit CGI script.	7247530.cif