Crystallography Open Database

Information card for entry 1506774

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Structure parameters

Formula	C24 H33 N O4
Calculated formula	C24 H33 N O4
SMILES	N1[C@@H]([C@@H]([C@@H]([C@@H]([C@@H]1C)CO)COCc1ccccc1)COCc1ccccc1)CO.N1[C@H]([C@H]([C@H]([C@H]([C@H]1C)CO)COCc1ccccc1)COCc1ccccc1)CO
Title of publication	A Diels-Alder approach to the stereoselective synthesis of 2,3,5,6-tetra- and 2,3,4,5,6-pentasubstituted piperidines.
Authors of publication	Sales, Marcelo; Charette, André B
Journal of publication	Organic letters
Year of publication	2005
Journal volume	7
Journal issue	26
Pages of publication	5773 - 5776
a	10.685 ± 0.003 Å
b	24.806 ± 0.006 Å
c	8.872 ± 0.002 Å
α	90°
β	108.68 ± 0.03°
γ	90°
Cell volume	2227.7 ± 1 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	4
Space group number	9
Hermann-Mauguin space group symbol	C 1 c 1
Hall space group symbol	C -2yc
Residual factor for all reflections	0.0518
Residual factor for significantly intense reflections	0.0418
Weighted residual factors for significantly intense reflections	0.0891
Weighted residual factors for all reflections included in the refinement	0.0921
Goodness-of-fit parameter for all reflections included in the refinement	1.021
Diffraction radiation wavelength	1.54178 Å
Diffraction radiation type	CuKα
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.	1506774.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.	1506774.cif
120071	2014-07-11	Adding DOIs to range 1 structures.	1506774.cif
50581	2012-03-31	../uploads/cif-deposit/cod/cif Adding structures of 1506774 via cif-deposit CGI script.	1506774.cif