Crystallography Open Database

Information card for entry 1506185

Preview

Structure parameters

Formula	C24 H27 N O6
Calculated formula	C24 H27 N O6
SMILES	O=C1O[C@@]2(C(C)(C)[C@]1(CC2)C)C(=O)N1c2c(cc(cc2)OC)[C@]2(C1=O)CCCC(=O)C2
Title of publication	Extending Pummerer reaction chemistry. Asymmetric synthesis of spirocyclic oxindoles via chiral indole-2-sulfoxides.
Authors of publication	Feldman, Ken S.; Karatjas, Andrew G.
Journal of publication	Organic letters
Year of publication	2006
Journal volume	8
Journal issue	18
Pages of publication	4137 - 4140
a	6.986 ± 0.007 Å
b	11.755 ± 0.011 Å
c	25.4 ± 0.02 Å
α	90°
β	90°
γ	90°
Cell volume	2086 ± 3 Å³
Cell temperature	142 ± 2 K
Ambient diffraction temperature	142 ± 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	0.125
Residual factor for significantly intense reflections	0.0981
Weighted residual factors for significantly intense reflections	0.2659
Weighted residual factors for all reflections included in the refinement	0.2782
Goodness-of-fit parameter for all reflections included in the refinement	1.053
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
201954 (current)	2017-10-13	cif/ Marking COD entries in range 1 that are known to be related to ChemSpider entries using the _cod_related_entry data loop.	1506185.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.	1506185.cif
120071	2014-07-11	Adding DOIs to range 1 structures.	1506185.cif
48071	2012-03-26	../uploads/cif-deposit/cod/cif Adding structures of 1506185, 1506186 via cif-deposit CGI script.	1506185.cif