Crystallography Open Database

Information card for entry 1502201

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Structure parameters

Formula	C13 H19 N O6
Calculated formula	C13 H19 N O6
SMILES	O=CN1C[C@H](CC=C)[C@](O)(C1(C(=O)OC)C(=O)OC)C
Title of publication	Total synthesis of (-)-salinosporamide A.
Authors of publication	Satoh, Nobuhiro; Yokoshima, Satoshi; Fukuyama, Tohru
Journal of publication	Organic letters
Year of publication	2011
Journal volume	13
Journal issue	12
Pages of publication	3028 - 3031
a	8.6606 ± 0.0004 Å
b	7.5271 ± 0.0004 Å
c	11.6989 ± 0.0005 Å
α	90°
β	109.834 ± 0.003°
γ	90°
Cell volume	717.4 ± 0.06 Å³
Cell temperature	93.1 K
Ambient diffraction temperature	93 K
Number of distinct elements	4
Space group number	4
Hermann-Mauguin space group symbol	P 1 21 1
Hall space group symbol	P 2yb
Residual factor for significantly intense reflections	0.0537
Weighted residual factors for all reflections included in the refinement	0.1617
Goodness-of-fit parameter for all reflections included in the refinement	1.117
Diffraction radiation wavelength	1.54187 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.	1502201.cif
176435	2016-02-14	cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries from ranges 1, 2.	1502201.cif
91932	2013-12-28	cif/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the range 1 CIFs.	1502201.cif
35911	2012-02-28	cif/ Reorganising ranges 1, 3, 5, 6 and 8 into a prefix-directory tree.	1502201.cif
35510	2012-02-26	../uploads/cif-deposit/cod/cif Adding structures of 1502201 via cif-deposit CGI script.	1502201.cif