Crystallography Open Database

Information card for entry 7112873

Preview

Coordinates	7112873.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C18 H16 N2
Calculated formula	C18 H16 N2
SMILES	c1(c2c(n(c1)C)cccc2)c1n(c2c(c1)cccc2)C
Title of publication	Oxidative dimerization of N-protected and free indole derivatives toward 3,3′-biindoles via Pd-catalyzed direct C–H transformations
Authors of publication	Li, Yang; Wang, Wen-Hua; Yang, Shang-Dong; Li, Bi-Jie; Feng, Chun; Shi, Zhang-Jie
Journal of publication	Chemical Communications
Year of publication	2010
Journal volume	46
Journal issue	25
Pages of publication	4553
a	11.29 ± 0.002 Å
b	7.2745 ± 0.0015 Å
c	17.151 ± 0.003 Å
α	90°
β	96.63 ± 0.03°
γ	90°
Cell volume	1399.2 ± 0.5 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	3
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.0914
Residual factor for significantly intense reflections	0.0568
Weighted residual factors for significantly intense reflections	0.1193
Weighted residual factors for all reflections included in the refinement	0.1395
Goodness-of-fit parameter for all reflections included in the refinement	0.903
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
276388 (current)	2022-06-29	cif/7/11/28/ Removed the '_chemical_name_systematic' and '_chemical_name_common' data items that had incorrect values from entry 7112873.	7112873.cif
180242	2016-03-26	cif/7/11/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/11/28.	7112873.cif
112135	2014-04-29	cif/ Adding structures of 7112873, 7112874 via cif-deposit CGI script.	7112873.cif