Crystallography Open Database

Information card for entry 1503239

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Structure parameters

Formula	C21 H17 N O2
Calculated formula	C21 H17 N O2
SMILES	[nH]1c(c(c2c1c1ccccc1cc2)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	15.8403 ± 0.0012 Å
b	9.3434 ± 0.0007 Å
c	22.2175 ± 0.0016 Å
α	90°
β	99.239 ± 0.002°
γ	90°
Cell volume	3245.6 ± 0.4 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	0.1044
Residual factor for significantly intense reflections	0.0599
Weighted residual factors for significantly intense reflections	0.1386
Weighted residual factors for all reflections included in the refinement	0.1529
Goodness-of-fit parameter for all reflections included in the refinement	0.856
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.	1503239.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.	1503239.cif
91932	2013-12-28	cif/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the range 1 CIFs.	1503239.cif
37119	2012-03-01	../uploads/cif-deposit/cod/cif Adding structures of 1503239 via cif-deposit CGI script.	1503239.cif