Crystallography Open Database

Information card for entry 1506044

Preview

Coordinates	1506044.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C23 H25 N O4 S
Calculated formula	C23 H25 N O4 S
SMILES	S(=O)(=O)([C@H]1C(=O)N(C(=O)[C@H]2[C@@H]1CCCC2)Cc1ccccc1)c1ccc(cc1)C.S(=O)(=O)([C@@H]1C(=O)N(C(=O)[C@@H]2[C@H]1CCCC2)Cc1ccccc1)c1ccc(cc1)C
Title of publication	Efficient synthesis of fused bicyclic glutarimides. Its application to (+/-)-alloyohimbane and louisianin D.
Authors of publication	Chen, Hung-Wei; Hsu, Ru-Ting; Chang, Meng-Yang; Chang, Nein-Chen
Journal of publication	Organic letters
Year of publication	2006
Journal volume	8
Journal issue	14
Pages of publication	3033 - 3035
a	8.6243 ± 0.0011 Å
b	12.1688 ± 0.0016 Å
c	20.438 ± 0.003 Å
α	90°
β	100.164 ± 0.003°
γ	90°
Cell volume	2111.3 ± 0.5 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	5
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/n 1
Hall space group symbol	-P 2yn
Residual factor for all reflections	0.0584
Residual factor for significantly intense reflections	0.0411
Weighted residual factors for significantly intense reflections	0.1166
Weighted residual factors for all reflections included in the refinement	0.129
Goodness-of-fit parameter for all reflections included in the refinement	1.064
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
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.	1506044.cif
120071	2014-07-11	Adding DOIs to range 1 structures.	1506044.cif
47950	2012-03-26	../uploads/cif-deposit/cod/cif Adding structures of 1506044 via cif-deposit CGI script.	1506044.cif