Crystallography Open Database

Information card for entry 1506921

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Structure parameters

Formula	C8 H10 O8
Calculated formula	C8 H10 O8
SMILES	O=C(OC)[C@@]1(O)[C@@](O)(C(=O)OC1)C(=O)OC
Title of publication	Asymmetric synthesis of the AB ring system of lactonamycin.
Authors of publication	Kelly, T. Ross; Cai, Xiaolu; Tu, Bin; Elliott, Eric L.; Grossmann, Gilles; Laurent, Pierre
Journal of publication	Organic letters
Year of publication	2004
Journal volume	6
Journal issue	26
Pages of publication	4953 - 4956
a	8.0511 ± 0.0005 Å
b	14.5143 ± 0.001 Å
c	8.4402 ± 0.0006 Å
α	90°
β	91.624 ± 0.001°
γ	90°
Cell volume	985.89 ± 0.12 Å³
Cell temperature	193 ± 2 K
Ambient diffraction temperature	193 ± 2 K
Number of distinct elements	3
Space group number	4
Hermann-Mauguin space group symbol	P 1 21 1
Hall space group symbol	P 2yb
Residual factor for all reflections	0.0358
Residual factor for significantly intense reflections	0.034
Weighted residual factors for significantly intense reflections	0.0838
Weighted residual factors for all reflections included in the refinement	0.085
Goodness-of-fit parameter for all reflections included in the refinement	1.014
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.	1506921.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.	1506921.cif
120071	2014-07-11	Adding DOIs to range 1 structures.	1506921.cif
51547	2012-04-07	../uploads/cif-deposit/cod/cif Adding structures of 1506918, 1506919, 1506920, 1506921 via cif-deposit CGI script.	1506921.cif