Crystallography Open Database

Information card for entry 7159771

Preview

Coordinates	7159771.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C26 H23 N3 O2 S3
Calculated formula	C26 H23 N3 O2 S3
Title of publication	Thiocyanate promoted difunctionalization and cyclization of unsaturated C–C bonds to construct 1-sulfur-2-nitrogen-functionalized alkenes and 2-thiocyanate indolines
Authors of publication	Qin, Hong; Chen, Feng; Du, Jinze; Yang, Xiaobing; Huang, Yiping; Zhu, Kai; Yue, Changhai; Fang, Zheng; Guo, Kai
Journal of publication	Organic & Biomolecular Chemistry
Year of publication	2024
Journal volume	22
Journal issue	6
Pages of publication	1213 - 1218
a	20.022 ± 0.0003 Å
b	11.6268 ± 0.0002 Å
c	22.3898 ± 0.0003 Å
α	90°
β	107.063 ± 0.001°
γ	90°
Cell volume	4982.74 ± 0.13 Å³
Cell temperature	173 ± 2 K
Ambient diffraction temperature	173 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	0.0386
Residual factor for significantly intense reflections	0.0334
Weighted residual factors for significantly intense reflections	0.0809
Weighted residual factors for all reflections included in the refinement	0.0845
Goodness-of-fit parameter for all reflections included in the refinement	1.031
Diffraction radiation wavelength	1.34139 Å
Diffraction radiation type	GaKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
290263 (current)	2024-03-04	cif/ Updating files of 7159771 Original log message: Adding full bibliography for 7159771.cif.	7159771.cif
289112	2024-01-17	cif/ Adding structures of 7159771 via cif-deposit CGI script.	7159771.cif