Crystallography Open Database

Information card for entry 1506045

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Structure parameters

Formula	C22 H23 N O4 S
Calculated formula	C22 H23 N O4 S
SMILES	S(=O)(=O)([C@@H]1C(=O)N(C(=O)[C@@H]2[C@H]1CCC2)Cc1ccccc1)c1ccc(cc1)C.S(=O)(=O)([C@H]1C(=O)N(C(=O)[C@H]2[C@@H]1CCC2)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	19.552 ± 0.002 Å
b	7.7459 ± 0.0008 Å
c	13.2549 ± 0.0014 Å
α	90°
β	97.737 ± 0.002°
γ	90°
Cell volume	1989.2 ± 0.4 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/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.0753
Residual factor for significantly intense reflections	0.0509
Weighted residual factors for significantly intense reflections	0.1471
Weighted residual factors for all reflections included in the refinement	0.1678
Goodness-of-fit parameter for all reflections included in the refinement	1.095
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
301775 (current)	2025-08-18	Add cross-references to PubChem compounds in COD range 1/50 Each referenced PubChem compound corresponds to the full crystal structure.	1506045.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.	1506045.cif
120071	2014-07-11	Adding DOIs to range 1 structures.	1506045.cif
47951	2012-03-26	../uploads/cif-deposit/cod/cif Adding structures of 1506045 via cif-deposit CGI script.	1506045.cif