Crystallography Open Database

Information card for entry 4108480

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Coordinates	4108480.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C17 H23 N O2
Calculated formula	C17 H23 N O2
SMILES	O=C(OCC)c1c2c([nH]c1CC(C)C)c(cc(c2)C)C
Title of publication	Synthesis of Indoles via Domino Reaction of N-Aryl Amides and Ethyl Diazoacetate
Authors of publication	Sun-Liang Cui; Jing Wang; Yan-Guang Wang
Journal of publication	Journal of the American Chemical Society
Year of publication	2008
Journal volume	130
Pages of publication	13526 - 13527
a	10.1372 ± 0.0007 Å
b	15.7721 ± 0.0012 Å
c	10.5998 ± 0.0006 Å
α	90°
β	102.445 ± 0.0015°
γ	90°
Cell volume	1654.93 ± 0.19 Å³
Cell temperature	296 ± 1 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 significantly intense reflections	0.0601
Weighted residual factors for all reflections included in the refinement	0.1395
Goodness-of-fit parameter for all reflections included in the refinement	1
Diffraction radiation wavelength	0.71075 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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