Crystallography Open Database

Information card for entry 1503238

Preview

Structure parameters

Formula	C23 H19 N O2
Calculated formula	C23 H19 N O2
SMILES	[nH]1c(c(c2c1cccc2)c1ccc(cc1)c1ccccc1)C(=O)OCC
Title of publication	Synthesis of substituted indoles from 2-azidoacrylates and ortho-silyl aryltriflates.
Authors of publication	Hong, Deng; Chen, Zhengbo; Lin, Xufeng; Wang, Yanguang
Journal of publication	Organic letters
Year of publication	2010
Journal volume	12
Journal issue	20
Pages of publication	4608 - 4611
a	7.881 ± 0.007 Å
b	9.856 ± 0.009 Å
c	12.446 ± 0.011 Å
α	101.219 ± 0.015°
β	90.086 ± 0.014°
γ	104.921 ± 0.015°
Cell volume	914.9 ± 1.4 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	4
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.067
Residual factor for significantly intense reflections	0.0542
Weighted residual factors for significantly intense reflections	0.1497
Weighted residual factors for all reflections included in the refinement	0.1583
Goodness-of-fit parameter for all reflections included in the refinement	1.034
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
301775 (current)	2025-08-18	Add cross-references to PubChem compounds in COD range 1/50 Each referenced PubChem compound corresponds to the full crystal structure.	1503238.cif
176729	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.	1503238.cif
91932	2013-12-28	cif/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the range 1 CIFs.	1503238.cif
37118	2012-03-01	../uploads/cif-deposit/cod/cif Adding structures of 1503238 via cif-deposit CGI script.	1503238.cif