Crystallography Open Database

Information card for entry 7120676

7120675 << 7120676 >> 7120677

Preview

Coordinates	7120676.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C25 H25 N3 O2 S
Calculated formula	C25 H25 N3 O2 S
SMILES	S(=O)(=O)(NC1=Nc2c(/C1=N/c1cc(cc(c1)C)C)c(cc(c2)C)C)c1ccc(cc1)C
Title of publication	Cobalt(II)-Catalyzed Bis-isocyanides Insertion Reactions with Sulfonyl Azides via Nitrene Radical: Chemoselective Synthesis of The Sulfonylamidyl amide and 3-Imine Indole Derivatives
Authors of publication	Gu, Zheng-Yang; Li, Jing-Hao; Wang, Shun-Yi; Ji, Shun-Jun
Journal of publication	Chem. Commun.
Year of publication	2017
a	10.3022 ± 0.0007 Å
b	10.3972 ± 0.0007 Å
c	11.6686 ± 0.0006 Å
α	65.882 ± 0.006°
β	79.944 ± 0.005°
γ	81.015 ± 0.006°
Cell volume	1118.22 ± 0.13 Å³
Cell temperature	153 ± 2 K
Ambient diffraction temperature	153 ± 2 K
Number of distinct elements	5
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.1071
Residual factor for significantly intense reflections	0.0603
Weighted residual factors for significantly intense reflections	0.1406
Weighted residual factors for all reflections included in the refinement	0.1713
Goodness-of-fit parameter for all reflections included in the refinement	1.028
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
201054 (current)	2017-09-20	cif/ Adding structures of 7120676, 7120677, 7120678 via cif-deposit CGI script.	7120676.cif