Crystallography Open Database

Information card for entry 1518458

Preview

Coordinates	1518458.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C24 H25 N O5
Calculated formula	C24 H25 N O5
SMILES	O(C(=O)C1(C(=O)OC)[C@@H](c2c3c([nH]c2[C@H](C1)C=C)cccc3)c1ccccc1)C.O
Title of publication	Palladium-catalyzed asymmetric cycloadditions of vinylcyclopropanes and in situ formed unsaturated imines: construction of structurally and optically enriched spiroindolenines.
Authors of publication	Liu, Ze-Shui; Li, Wen-Ke; Kang, Tai-Ran; He, Long; Liu, Quan-Zhong
Journal of publication	Organic letters
Year of publication	2015
Journal volume	17
Journal issue	1
Pages of publication	150 - 153
a	9.0419 ± 0.0001 Å
b	12.2803 ± 0.0002 Å
c	19.0748 ± 0.0002 Å
α	90°
β	90°
γ	90°
Cell volume	2118.01 ± 0.05 Å³
Cell temperature	291 ± 2 K
Ambient diffraction temperature	291 ± 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	0.0303
Residual factor for significantly intense reflections	0.0298
Weighted residual factors for significantly intense reflections	0.0823
Weighted residual factors for all reflections included in the refinement	0.0829
Goodness-of-fit parameter for all reflections included in the refinement	1.096
Diffraction radiation wavelength	1.54184 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
176729 (current)	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.	1518458.cif
130826	2015-02-04	cif/ Updating files of 1518458, 1518459, 1518460, 1518461 Original log message: Adding full bibliography for 1518458--1518461.cif.	1518458.cif
128984	2014-12-21	cif/ Adding structures of 1518458 via cif-deposit CGI script.	1518458.cif