Crystallography Open Database

Information card for entry 1503382

Preview

Coordinates	1503382.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C7 H10 N2 O4
Calculated formula	C7 H10 N2 O4
SMILES	O=C1N[C@@H](C[C@@H]2[C@@]1(N(=O)=O)C2)CO.O=C1N[C@H](C[C@H]2[C@]1(N(=O)=O)C2)CO
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	15.0235 ± 0.0006 Å
b	7.429 ± 0.0003 Å
c	15.0658 ± 0.0005 Å
α	90°
β	97.107 ± 0.002°
γ	90°
Cell volume	1668.57 ± 0.11 Å³
Cell temperature	150 K
Ambient diffraction temperature	150 K
Number of distinct elements	4
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/n 1
Hall space group symbol	-P 2yn
Residual factor for all reflections	0.038
Residual factor for significantly intense reflections	0.0374
Weighted residual factors for significantly intense reflections	0.0994
Weighted residual factors for all reflections included in the refinement	0.0999
Goodness-of-fit parameter for all reflections included in the refinement	1.05
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.	1503382.cif
91932	2013-12-28	cif/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the range 1 CIFs.	1503382.cif
37256	2012-03-01	../uploads/cif-deposit/cod/cif Adding structures of 1503382 via cif-deposit CGI script.	1503382.cif