Crystallography Open Database

Information card for entry 1506038

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Structure parameters

Formula	C20 H24 O4
Calculated formula	C20 H24 O4
SMILES	O([C@H]([C@@](O)([C@@H](C)C(=O)OCC)c1ccccc1)c1ccccc1)C.O([C@@H]([C@](O)([C@H](C)C(=O)OCC)c1ccccc1)c1ccccc1)C
Title of publication	High chelation control of three contiguous stereogenic centers in the Reformatsky reactions of indium enolates with alpha-hydroxy ketones: unexpected stereochemistry of lactone formation.
Authors of publication	Babu, Srinivasarao Arulananda; Yasuda, Makoto; Okabe, Yuji; Shibata, Ikuya; Baba, Akio
Journal of publication	Organic letters
Year of publication	2006
Journal volume	8
Journal issue	14
Pages of publication	3029 - 3032
a	37.51 ± 0.03 Å
b	9.04 ± 0.02 Å
c	11.09 ± 0.02 Å
α	90°
β	103.8 ± 0.2°
γ	90°
Cell volume	3652 ± 11 Å³
Cell temperature	296.2 K
Number of distinct elements	3
Space group number	15
Hermann-Mauguin space group symbol	C 1 2/c 1
Hall space group symbol	-C 2yc
Residual factor for significantly intense reflections	0.1094
Weighted residual factors for all reflections included in the refinement	0.2667
Goodness-of-fit parameter for all reflections included in the refinement	1.856
Diffraction radiation wavelength	0.7107 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.	1506038.cif
176435	2016-02-14	cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries from ranges 1, 2.	1506038.cif
120071	2014-07-11	Adding DOIs to range 1 structures.	1506038.cif
47944	2012-03-26	../uploads/cif-deposit/cod/cif Adding structures of 1506038 via cif-deposit CGI script.	1506038.cif