Crystallography Open Database

Information card for entry 7218494

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Structure parameters

Common name	name
Formula	C16 H21 N O5
Calculated formula	C16 H21 N O5
SMILES	O(C(=O)N1C[C@H](O)[C@@H]2OC(OC[C@H]12)(C)C)Cc1ccccc1
Title of publication	Total synthesis of (+)-swainsonine and (+)-epi-swainsonine
Authors of publication	Trajkovic, Milos; Balanac, Vesna; Ferjancic, Zorana; Saicic, Radomir Nikola
Journal of publication	RSC Adv.
Year of publication	2014
a	5.3218 ± 0.0002 Å
b	13.302 ± 0.0005 Å
c	21.728 ± 0.0007 Å
α	90°
β	90°
γ	90°
Cell volume	1538.14 ± 0.1 Å³
Cell temperature	294 ± 2 K
Ambient diffraction temperature	294 ± 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	0.0385
Residual factor for significantly intense reflections	0.0355
Weighted residual factors for significantly intense reflections	0.0828
Weighted residual factors for all reflections included in the refinement	0.0846
Goodness-of-fit parameter for all reflections included in the refinement	1.123
Diffraction radiation probe	x-ray
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
301864 (current)	2025-08-22	Add cross-references to PubChem compounds in COD range 7/21/ Each referenced PubChem compound corresponds to the full crystal structure.	7218494.cif
180515	2016-03-26	cif/7/21/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/21/84.	7218494.cif
125351	2014-10-15	cif/ Adding structures of 7218494 via cif-deposit CGI script.	7218494.cif