Crystallography Open Database

Information card for entry 4038505

Preview

Coordinates	4038505.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C20 H21 N O6 S
Calculated formula	C20 H21 N O6 S
Title of publication	Sulfoximine-Assisted Unsymmetrical Twofold C-H Functionalization of Arenes.
Authors of publication	Ghosh, Koushik; Ghosh, Arghadip; Mukherjee, Kallol; Rit, Raja K.; Sahoo, Akhila K.
Journal of publication	The Journal of organic chemistry
Year of publication	2020
Journal volume	85
Journal issue	13
Pages of publication	8618 - 8626
a	8.4889 ± 0.0005 Å
b	23.1788 ± 0.0013 Å
c	10.7372 ± 0.0006 Å
α	90°
β	108.396 ± 0.007°
γ	90°
Cell volume	2004.7 ± 0.2 Å³
Cell temperature	237 ± 190 K
Ambient diffraction temperature	237 ± 190 K
Number of distinct elements	5
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	0.0873
Residual factor for significantly intense reflections	0.0534
Weighted residual factors for significantly intense reflections	0.1224
Weighted residual factors for all reflections included in the refinement	0.1419
Goodness-of-fit parameter for all reflections included in the refinement	1.04
Diffraction radiation probe	x-ray
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
253733 (current)	2020-07-04	cif/ Updating files of 4038505, 4038506 Original log message: Adding full bibliography for 4038505--4038506.cif.	4038505.cif
253332	2020-06-23	cif/ Adding structures of 4038505 via cif-deposit CGI script.	4038505.cif