Crystallography Open Database

Information card for entry 7134170

Preview

Coordinates	7134170.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C7 H9 N O S
Calculated formula	C7 H9 N O S
Title of publication	Synthesis of chiral <i>N</i>-free sulfinamides by asymmetric condensation of stable sulfinates and ammonium salts.
Authors of publication	Xiong, Qin; Liao, Minghong; Wang, Gangyu; Shi, Hai; Wu, Xingxing
Journal of publication	Chemical communications (Cambridge, England)
Year of publication	2025
Journal volume	61
Journal issue	14
Pages of publication	3017 - 3020
a	4.9512 ± 0.0006 Å
b	6.4395 ± 0.0008 Å
c	24.625 ± 0.003 Å
α	90°
β	90°
γ	90°
Cell volume	785.13 ± 0.17 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 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	0.0729
Residual factor for significantly intense reflections	0.0676
Weighted residual factors for significantly intense reflections	0.1703
Weighted residual factors for all reflections included in the refinement	0.1735
Goodness-of-fit parameter for all reflections included in the refinement	1.143
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
298043 (current)	2025-03-04	cif/ Updating files of 7134170 Original log message: Adding full bibliography for 7134170.cif.	7134170.cif
297329	2025-01-16	cif/ Adding structures of 7134170 via cif-deposit CGI script.	7134170.cif