Crystallography Open Database

Information card for entry 1570086

Preview

Coordinates	1570086.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C35 H53 N O2 S
Calculated formula	C35 H53 N O2 S
Title of publication	Kinetically-driven reactivity of sulfinylamines enables direct conversion of carboxylic acids to sulfinamides.
Authors of publication	Dang, Hang T.; Porey, Arka; Nand, Sachchida; Trevino, Ramon; Manning-Lorino, Patrick; Hughes, William B.; Fremin, Seth O.; Thompson, William T.; Dhakal, Shree Krishna; Arman, Hadi D.; Larionov, Oleg V.
Journal of publication	Chemical science
Year of publication	2023
Journal volume	14
Journal issue	46
Pages of publication	13384 - 13391
a	14.1503 ± 0.0002 Å
b	19.7477 ± 0.0004 Å
c	25.7609 ± 0.0004 Å
α	90°
β	90°
γ	90°
Cell volume	7198.5 ± 0.2 Å³
Cell temperature	100 ± 0.1 K
Ambient diffraction temperature	100 ± 0.1 K
Number of distinct elements	5
Space group number	19
Hermann-Mauguin space group symbol	P 21 21 21
Hall space group symbol	P 2ac 2ab
Residual factor for all reflections	0.0737
Residual factor for significantly intense reflections	0.0698
Weighted residual factors for significantly intense reflections	0.1556
Weighted residual factors for all reflections included in the refinement	0.1577
Goodness-of-fit parameter for all reflections included in the refinement	1.062
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
288737 (current)	2024-01-06	cif/ Updating files of 1570081, 1570082, 1570083, 1570084, 1570085, 1570086 Original log message: Adding full bibliography for 1570081--1570086.cif.	1570086.cif
286852	2023-10-10	cif/ Adding structures of 1570081, 1570082, 1570083, 1570084, 1570085, 1570086 via cif-deposit CGI script.	1570086.cif