Crystallography Open Database

Information card for entry 7151269

Preview

Coordinates	7151269.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C18 H23 N O7
Calculated formula	C18 H23 N O7
SMILES	N1C(=O)[C@@H]([C@](O)(C1(C(=O)OC)C(=O)OC)C)CCOCc1ccccc1.N1C(=O)[C@H]([C@@](O)(C1(C(=O)OC)C(=O)OC)C)CCOCc1ccccc1
Title of publication	A concise total synthesis of salinosporamide A.
Authors of publication	Mulholland, Nicholas P.; Pattenden, Gerald; Walters, Iain A. S.
Journal of publication	Organic & biomolecular chemistry
Year of publication	2006
Journal volume	4
Journal issue	15
Pages of publication	2845 - 2846
a	14.292 ± 0.006 Å
b	11.057 ± 0.004 Å
c	11.287 ± 0.005 Å
α	90°
β	92.09 ± 0.007°
γ	90°
Cell volume	1782.5 ± 1.3 Å³
Cell temperature	150 ± 2 K
Ambient diffraction temperature	150 ± 2 K
Number of distinct elements	4
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	0.0536
Residual factor for significantly intense reflections	0.0421
Weighted residual factors for significantly intense reflections	0.111
Weighted residual factors for all reflections included in the refinement	0.123
Goodness-of-fit parameter for all reflections included in the refinement	1.04
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
180298 (current)	2016-03-26	cif/7/15/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/15/12.	7151269.cif
120443	2014-07-15	Adding 17924 DOIs guessed from source file names.	7151269.cif
35909	2012-02-26	cif/7/: reorganising range 7 into a prefix-directory tree.	7151269.cif
1504	2010-09-08	cif/7/ Adding data extracted from RSC 2005 and 2006 year publications.	7151269.cif