Crystallography Open Database

Information card for entry 1506601

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Structure parameters

Formula	C10 H15 N O4
Calculated formula	C10 H15 N O4
SMILES	O[C@@H](C(C)C)[C@]12NC(=O)[C@H]([C@@H]2OC1=O)C
Title of publication	Simple enantiospecific syntheses of the C(2)-diastereomers of omuralide and 3-methylomuralide.
Authors of publication	Reddy, Leleti Rajender; Saravanan, P.; Fournier, Jean-François; Subba Reddy, B. V.; Corey, E. J.
Journal of publication	Organic letters
Year of publication	2005
Journal volume	7
Journal issue	13
Pages of publication	2703 - 2705
a	7.5381 ± 0.0009 Å
b	8.2908 ± 0.001 Å
c	17.803 ± 0.002 Å
α	90°
β	90°
γ	90°
Cell volume	1112.6 ± 0.2 Å³
Cell temperature	213 ± 2 K
Ambient diffraction temperature	213 ± 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	0.0419
Residual factor for significantly intense reflections	0.0367
Weighted residual factors for significantly intense reflections	0.0995
Weighted residual factors for all reflections included in the refinement	0.1019
Goodness-of-fit parameter for all reflections included in the refinement	1.067
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
201954 (current)	2017-10-13	cif/ Marking COD entries in range 1 that are known to be related to ChemSpider entries using the _cod_related_entry data loop.	1506601.cif
176729	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.	1506601.cif
120071	2014-07-11	Adding DOIs to range 1 structures.	1506601.cif
50433	2012-03-31	../uploads/cif-deposit/cod/cif Adding structures of 1506601 via cif-deposit CGI script.	1506601.cif