Crystallography Open Database

Information card for entry 4107786

Preview

Coordinates	4107786.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C15 H13 N O2
Calculated formula	C15 H13 N O2
SMILES	C1(=O)[C@@H](c2c(cccc2)Oc2c(cccc2)N1)C
Title of publication	Sequence of Intramolecular Carbonylation and Asymmetric Hydrogenation Reactions: Highly Regio- and Enantioselective Synthesis of Medium Ring Tricyclic Lactams
Authors of publication	Shui-Ming Lu; Howard Alper
Journal of publication	Journal of the American Chemical Society
Year of publication	2008
Journal volume	130
Pages of publication	6451 - 6455
a	19.8173 ± 0.0019 Å
b	19.8173 ± 0.0019 Å
c	8.1477 ± 0.0016 Å
α	90°
β	90°
γ	120°
Cell volume	2771.1 ± 0.7 Å³
Cell temperature	202 ± 2 K
Ambient diffraction temperature	202 ± 2 K
Number of distinct elements	4
Space group number	146
Hermann-Mauguin space group symbol	R 3 :H
Hall space group symbol	R 3
Residual factor for all reflections	0.0952
Residual factor for significantly intense reflections	0.0515
Weighted residual factors for significantly intense reflections	0.0894
Weighted residual factors for all reflections included in the refinement	0.1028
Goodness-of-fit parameter for all reflections included in the refinement	1.048
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

For the version history of this entry, please navigate to main COD server.
The link is: https://www.crystallography.net/4107786.html