Crystallography Open Database

Information card for entry 1554782

Preview

Coordinates	1554782.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C34 H29 N5 O4 S
Calculated formula	C34 H29 N5 O4 S
SMILES	S(=O)(=O)(/N=C1/N(c2ccc(N(=O)=O)cc2C1(c1cn(c2c1cccc2)C)c1cn(c2c1cccc2)C)C)c1ccc(cc1)C
Title of publication	Copper-catalyzed cascade double C3-indolations of 3-diazoindolin-2-imines with indoles: convenient access to 3,3-diaryl-2-iminoindoles.
Authors of publication	Du, Zao; Xing, Yanpeng; Lu, Ping; Wang, Yanguang
Journal of publication	Organic letters
Year of publication	2015
Journal volume	17
Journal issue	5
Pages of publication	1192 - 1195
a	9.7972 ± 0.0007 Å
b	10.509 ± 0.0008 Å
c	15.4371 ± 0.0011 Å
α	72.931 ± 0.007°
β	74.564 ± 0.006°
γ	84.268 ± 0.006°
Cell volume	1464.2 ± 0.2 Å³
Cell temperature	170 K
Ambient diffraction temperature	170 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	0.0625
Residual factor for significantly intense reflections	0.043
Weighted residual factors for significantly intense reflections	0.0952
Weighted residual factors for all reflections included in the refinement	0.1066
Goodness-of-fit parameter for all reflections included in the refinement	1.027
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
238116 (current)	2019-11-24	cif/ Adding structures of 1554782 via cif-deposit CGI script.	1554782.cif