Crystallography Open Database

Information card for entry 7153863

Preview

Coordinates	7153863.cif
Original paper (by DOI)	HTML

Structure parameters

Chemical name	Methyl 2,2-dihydroxy-2-(5-oxotetrahydrofuran-2-yl)acetate
Formula	C7 H10 O6
Calculated formula	C7 H10 O6
SMILES	OC(C(=O)OC)(O)[C@H]1OC(=O)CC1
Title of publication	Total synthesis of gonytolides C and G, lachnone C, and formal synthesis of blennolide C and diversonol.
Authors of publication	Sudhakar, Gangarajula; Bayya, Shruthi; Kadam, Vilas D.; Nanubolu, Jagadeesh Babu
Journal of publication	Organic & biomolecular chemistry
Year of publication	2014
Journal volume	12
Journal issue	30
Pages of publication	5601 - 5610
a	6.7699 ± 0.0004 Å
b	8.2068 ± 0.0005 Å
c	15.1001 ± 0.0009 Å
α	90°
β	90°
γ	90°
Cell volume	838.95 ± 0.09 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	3
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	0.0297
Residual factor for significantly intense reflections	0.0295
Weighted residual factors for significantly intense reflections	0.083
Weighted residual factors for all reflections included in the refinement	0.0831
Goodness-of-fit parameter for all reflections included in the refinement	1.201
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
180324 (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 7/15/38.	7153863.cif
121742	2014-08-08	cif/ Updating files of 7153863 Original log message: Adding full bibliography for 7153863.cif.	7153863.cif
115584	2014-06-04	cif/ Adding structures of 7153863 via cif-deposit CGI script.	7153863.cif