Crystallography Open Database

Information card for entry 1100378

Preview

Coordinates	1100378.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C13 H15 I O3
Calculated formula	C13 H15 I O3
SMILES	C1(=O)OC[C@@](C)([C@@H]([C@H](C)c2ccccc2)I)O1.C1(=O)OC[C@](C)([C@H]([C@@H](C)c2ccccc2)I)O1
Title of publication	A phenyl-assisted asymmetric iodolactonisation reaction
Authors of publication	Hoffmann, Reinhard W.; Stürmer, Rainer; Harms, Klaus
Journal of publication	Tetrahedron Letters
Year of publication	1994
Journal volume	35
Journal issue	34
Pages of publication	6263 - 6266
a	8.01 ± 0.001 Å
b	14.74 ± 0.002 Å
c	22.811 ± 0.002 Å
α	90°
β	90°
γ	90°
Cell volume	2693.24 Å³
Number of distinct elements	4
Space group number	61
Hermann-Mauguin space group symbol	P b c a
Hall space group symbol	-P 2ac 2ab
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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