Crystallography Open Database

Information card for entry 1503381

Preview

Coordinates	1503381.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C15 H12 N2 O6
Calculated formula	C15 H12 N2 O6
SMILES	O1C(=O)[C@@]2([C@H](C[C@@H](C1)N1C(=O)c3ccccc3C1=O)C2)N(=O)=O.O1C(=O)[C@]2([C@@H](C[C@H](C1)N1C(=O)c3ccccc3C1=O)C2)N(=O)=O
Title of publication	Formal synthesis of belactosin A and hormaomycin via a diastereoselective intramolecular cyclopropanation of an alpha-nitro diazoester.
Authors of publication	Vanier, Sébastien F; Larouche, Guillaume; Wurz, Ryan P.; Charette, André B
Journal of publication	Organic letters
Year of publication	2010
Journal volume	12
Journal issue	4
Pages of publication	672 - 675
a	14.9683 ± 0.0005 Å
b	11.3211 ± 0.0004 Å
c	8.1328 ± 0.0003 Å
α	90°
β	96.892 ± 0.002°
γ	90°
Cell volume	1368.21 ± 0.08 Å³
Cell temperature	203 ± 2 K
Ambient diffraction temperature	203 ± 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	0.0632
Residual factor for significantly intense reflections	0.0455
Weighted residual factors for significantly intense reflections	0.1398
Weighted residual factors for all reflections included in the refinement	0.1501
Goodness-of-fit parameter for all reflections included in the refinement	1.034
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
176729 (current)	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.	1503381.cif
91932	2013-12-28	cif/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the range 1 CIFs.	1503381.cif
37255	2012-03-01	../uploads/cif-deposit/cod/cif Adding structures of 1503381 via cif-deposit CGI script.	1503381.cif