Crystallography Open Database

Information card for entry 7124739

Preview

Coordinates	7124739.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C18 H17 N O4 S
Calculated formula	C18 H17 N O4 S
Title of publication	Gold-catalyzed [3+2]-annulations of α-aryl diazonitriles with ynamides and allenamides to yield 1-amino-1H-indenes.
Authors of publication	Singh, RahulKumar Rajmani; Pawar, Samir Kundlik; Huang, Min-Jie; Liu, Rai-Shung
Journal of publication	Chemical communications (Cambridge, England)
Year of publication	2016
Journal volume	52
Journal issue	76
Pages of publication	11434 - 11437
a	6.5556 ± 0.0003 Å
b	11.4813 ± 0.0006 Å
c	12.6356 ± 0.0007 Å
α	113.781 ± 0.003°
β	98.198 ± 0.003°
γ	93.092 ± 0.003°
Cell volume	854.85 ± 0.08 Å³
Cell temperature	296 ± 2 K
Ambient diffraction temperature	296 ± 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	0.0685
Residual factor for significantly intense reflections	0.0454
Weighted residual factors for significantly intense reflections	0.1305
Weighted residual factors for all reflections included in the refinement	0.1637
Goodness-of-fit parameter for all reflections included in the refinement	1.126
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
234180 (current)	2019-11-23	cif/ Adding structures of 7124736, 7124737, 7124738, 7124739 via cif-deposit CGI script.	7124739.cif