Crystallography Open Database

Information card for entry 1503240

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Structure parameters

Formula	C18 H17 N O3
Calculated formula	C18 H17 N O3
SMILES	O(C)c1cccc2c1[nH]c(c2c1ccccc1)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	6.7647 ± 0.0003 Å
b	17.5609 ± 0.0008 Å
c	13.1322 ± 0.0006 Å
α	90°
β	90.811 ± 0.004°
γ	90°
Cell volume	1559.87 ± 0.12 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	4
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/n 1
Hall space group symbol	-P 2yn
Residual factor for all reflections	0.0616
Residual factor for significantly intense reflections	0.0354
Weighted residual factors for significantly intense reflections	0.0858
Weighted residual factors for all reflections included in the refinement	0.0913
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
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.	1503240.cif
176432	2016-02-14	cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries.	1503240.cif
91932	2013-12-28	cif/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the range 1 CIFs.	1503240.cif
37120	2012-03-01	../uploads/cif-deposit/cod/cif Adding structures of 1503240 via cif-deposit CGI script.	1503240.cif