Crystallography Open Database

Information card for entry 7116124

Preview

Coordinates	7116124.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C22 H24 N2 O2
Calculated formula	C22 H24 N2 O2
SMILES	C1CCN2C=C([C@H]([C@@H]([C@@]12C)N(=O)=O)c1ccccc1)Cc1ccccc1
Title of publication	A highly efficient asymmetric synthesis of quaternary stereocenter-containing indolizidine and quinolizidine alkaloids using aldehydes, nitroalkenes, and unactivated cyclic ketimines
Authors of publication	Yu Tan; Yong-Jian Chen; Hua Lin; Han-Lin Luan; Xing-Wen Sun; Xiao-Di Yang; Guo-Qiang Lin
Journal of publication	Chem.Commun.
Year of publication	2014
Journal volume	50
Pages of publication	15913
a	8.435 ± 0.004 Å
b	11.876 ± 0.005 Å
c	19.47 ± 0.008 Å
α	90°
β	90°
γ	90°
Cell volume	1950.4 ± 1.5 Å³
Cell temperature	273 ± 2 K
Ambient diffraction temperature	273 ± 2 K
Number of distinct elements	4
Space group number	19
Hermann-Mauguin space group symbol	P 21 21 21
Hall space group symbol	P 2ac 2ab
Residual factor for all reflections	0.056
Residual factor for significantly intense reflections	0.0412
Weighted residual factors for significantly intense reflections	0.1084
Weighted residual factors for all reflections included in the refinement	0.1177
Goodness-of-fit parameter for all reflections included in the refinement	1.003
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
180275 (current)	2016-03-26	cif/7/11/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/11/61.	7116124.cif
129082	2014-12-26	cif/ Adding structures of 7116124 via cif-deposit CGI script.	7116124.cif