Crystallography Open Database

Information card for entry 4035633

Preview

Coordinates	4035633.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C24 H25 N O3 S
Calculated formula	C24 H25 N O3 S
SMILES	S(=O)(=O)(n1c2c(c3c1ccc(O)c3)c(cc(c2CC)CC)CC)c1ccccc1
Title of publication	Iodine(III)-Enabled Distal C-H Functionalization of Biarylsulfonanilides.
Authors of publication	Bal, Ankita; Maiti, Saikat; Mal, Prasenjit
Journal of publication	The Journal of organic chemistry
Year of publication	2018
Journal volume	83
Journal issue	18
Pages of publication	11278 - 11287
a	24.0269 ± 0.0004 Å
b	11.51228 ± 0.00018 Å
c	15.7204 ± 0.0003 Å
α	90°
β	103.112 ± 0.0019°
γ	90°
Cell volume	4234.97 ± 0.13 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 K
Number of distinct elements	5
Space group number	15
Hermann-Mauguin space group symbol	C 1 2/c 1
Hall space group symbol	-C 2yc
Residual factor for all reflections	0.0637
Residual factor for significantly intense reflections	0.0611
Weighted residual factors for significantly intense reflections	0.1662
Weighted residual factors for all reflections included in the refinement	0.1696
Goodness-of-fit parameter for all reflections included in the refinement	1.0278
Diffraction radiation wavelength	1.54184 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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