Crystallography Open Database

Information card for entry 1503475

Preview

Coordinates	1503475.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C23 H16 N2
Calculated formula	C23 H16 N2
SMILES	n1c2c([nH]c3c2cccc3)cc(c1c1ccccc1)c1ccccc1
Title of publication	Synthesis of δ-carbolines via a Pd-catalyzed sequential reaction from 2-iodoanilines and N-tosyl-enynamines.
Authors of publication	Cao, Jian; Xu, Yongping; Kong, Yulong; Cui, Yuming; Hu, Ziqiang; Wang, Guanhai; Deng, Yuan; Lai, Guoqiao
Journal of publication	Organic letters
Year of publication	2012
Journal volume	14
Journal issue	1
Pages of publication	38 - 41
a	11.3832 ± 0.0006 Å
b	11.7346 ± 0.0006 Å
c	13.7133 ± 0.0007 Å
α	84.235 ± 0.001°
β	73.974 ± 0.001°
γ	80.192 ± 0.001°
Cell volume	1732.1 ± 0.16 Å³
Cell temperature	296 ± 2 K
Ambient diffraction temperature	296 ± 2 K
Number of distinct elements	3
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0649
Residual factor for significantly intense reflections	0.044
Weighted residual factors for significantly intense reflections	0.1366
Weighted residual factors for all reflections included in the refinement	0.1739
Goodness-of-fit parameter for all reflections included in the refinement	1.036
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.	1503475.cif
91932	2013-12-28	cif/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the range 1 CIFs.	1503475.cif
37857	2012-03-04	../uploads/cif-deposit/cod/cif Adding structures of 1503475 via cif-deposit CGI script.	1503475.cif