Crystallography Open Database

Information card for entry 7122481

Preview

Coordinates	7122481.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C32 H28 N4 O2
Calculated formula	C32 H28 N4 O2
Title of publication	NaHS·nH<sub>2</sub>O-induced umpolung: the synthesis of 2-acyl-3-aminoindoles from aryl methyl ketones and 2-aminobenzonitriles.
Authors of publication	Geng, Xiao; Wu, Xia; Wang, Can; Zhao, Peng; Zhou, You; Sun, Xuan; Wang, Ling-Jiao; Guan, Wen-Juan; Wu, Yan-Dong; Wu, An-Xin
Journal of publication	Chemical communications (Cambridge, England)
Year of publication	2018
Journal volume	54
Journal issue	90
Pages of publication	12730 - 12733
a	9.7923 ± 0.0013 Å
b	17.627 ± 0.002 Å
c	15.121 ± 0.002 Å
α	90°
β	91.028 ± 0.002°
γ	90°
Cell volume	2609.6 ± 0.6 Å³
Cell temperature	296 ± 2 K
Ambient diffraction temperature	296 ± 2 K
Number of distinct elements	4
Space group number	9
Hermann-Mauguin space group symbol	C 1 c 1
Hall space group symbol	C -2yc
Residual factor for all reflections	0.0492
Residual factor for significantly intense reflections	0.0374
Weighted residual factors for significantly intense reflections	0.0883
Weighted residual factors for all reflections included in the refinement	0.0949
Goodness-of-fit parameter for all reflections included in the refinement	1.059
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
228321 (current)	2019-11-17	cif/ Updating files of 7122481, 7122482 Original log message: Adding full bibliography for 7122481--7122482.cif.	7122481.cif
211548	2018-10-20	cif/ Adding structures of 7122481, 7122482 via cif-deposit CGI script.	7122481.cif