Crystallography Open Database

Information card for entry 1508795

Preview

Coordinates	1508795.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C35 H30 Cl2 N2 O
Calculated formula	C35 H28 Cl2 N2 O
Title of publication	1,2- and 1,4-Additions of 2-Alkynylcyclohexadienimines with Aromatic Amines To Access 4-Amino-N-arylindoles and -azepinoindoles.
Authors of publication	Zhang, Li; Li, Zhiming; Fan, Renhua
Journal of publication	Organic letters
Year of publication	2012
Journal volume	14
Journal issue	23
Pages of publication	6076 - 6079
a	28.121 ± 0.007 Å
b	9.598 ± 0.002 Å
c	23.181 ± 0.006 Å
α	90°
β	116.64 ± 0.003°
γ	90°
Cell volume	5592 ± 2 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	5
Space group number	15
Hermann-Mauguin space group symbol	C 1 2/c 1
Hall space group symbol	-C 2yc
Residual factor for all reflections	0.1199
Residual factor for significantly intense reflections	0.1006
Weighted residual factors for significantly intense reflections	0.2845
Weighted residual factors for all reflections included in the refinement	0.3115
Goodness-of-fit parameter for all reflections included in the refinement	1.019
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
176729 (current)	2016-02-18	cif/ (antanas@echidna.ibt.lt) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 1.	1508795.cif
91932	2013-12-28	cif/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the range 1 CIFs.	1508795.cif
72264	2013-01-21	cif/ Adding structures of 1508795 via cif-deposit CGI script.	1508795.cif