Crystallography Open Database

Information card for entry 7157957

Preview

Coordinates	7157957.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C31 H25 N O S
Calculated formula	C31 H25 N O S
SMILES	S(=O)(=NC(c1ccccc1)(c1ccccc1)c1ccccc1)(c1ccccc1)c1ccccc1
Title of publication	5-(Diarylimino)- and 5-(sulfoximido)dibenzothiophenium triflates: syntheses and applications as electrophilic aminating reagents.
Authors of publication	Li, Zhen; Vijaykumar, Gonela; Li, Xiangdong; Golz, Christopher; Alcarazo, Manuel
Journal of publication	Organic & biomolecular chemistry
Year of publication	2021
Journal volume	19
Journal issue	13
Pages of publication	2941 - 2948
a	24.1618 ± 0.0013 Å
b	8.143 ± 0.0005 Å
c	24.1637 ± 0.0015 Å
α	90°
β	99.543 ± 0.002°
γ	90°
Cell volume	4688.4 ± 0.5 Å³
Cell temperature	100 K
Ambient diffraction temperature	100 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	0.0344
Residual factor for significantly intense reflections	0.033
Weighted residual factors for significantly intense reflections	0.089
Weighted residual factors for all reflections included in the refinement	0.0903
Goodness-of-fit parameter for all reflections included in the refinement	1.031
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
264946 (current)	2021-05-05	cif/ Updating files of 7157951, 7157952, 7157953, 7157954, 7157955, 7157956, 7157957, 7157958, 7157959, 7157960, 7157961, 7157962, 7157963, 7157964, 7157965, 7157966, 7157967, 7157968 Original log message: Adding full bibliography for 7157951--7157968.cif.	7157957.cif
263076	2021-03-17	cif/ Adding structures of 7157951, 7157952, 7157953, 7157954, 7157955, 7157956, 7157957, 7157958, 7157959, 7157960, 7157961, 7157962, 7157963, 7157964, 7157965, 7157966, 7157967, 7157968 via cif-deposit CGI script.	7157957.cif