Crystallography Open Database

Information card for entry 1568500

Preview

Coordinates	1568500.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C25 H22 N O4 S2
Calculated formula	C25 H22 N O4 S2
SMILES	S(=O)(=O)(c1ccc(C)cc1)C1=C(c2ccccc2)C2Cc3c(S(=O)(=O)N(C2)C1)cccc3
Title of publication	Electrosynthesis of bridged or fused sulfonamides through complex radical cascade reactions: divergence in medium-sized ring formation.
Authors of publication	Zhang, Yan; Cai, Zhenzhi; Zhao, Chunhang; Zheng, Hanliang; Ackermann, Lutz
Journal of publication	Chemical science
Year of publication	2023
Journal volume	14
Journal issue	13
Pages of publication	3541 - 3547
a	8.0803 ± 0.0008 Å
b	17.2484 ± 0.0018 Å
c	16.5592 ± 0.0014 Å
α	90°
β	90.883 ± 0.004°
γ	90°
Cell volume	2307.6 ± 0.4 Å³
Cell temperature	298 ± 2 K
Ambient diffraction temperature	298 ± 2 K
Number of distinct elements	5
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	0.114
Residual factor for significantly intense reflections	0.072
Weighted residual factors for significantly intense reflections	0.1858
Weighted residual factors for all reflections included in the refinement	0.2432
Goodness-of-fit parameter for all reflections included in the refinement	1.159
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
282288 (current)	2023-04-04	cif/ Updating files of 1568500, 1568501 Original log message: Adding full bibliography for 1568500--1568501.cif.	1568500.cif
281078	2023-02-22	cif/ Adding structures of 1568500, 1568501 via cif-deposit CGI script.	1568500.cif