Crystallography Open Database

Information card for entry 1505956

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Structure parameters

Formula	C25 H38 N2 O4 S Si
Calculated formula	C25 H38 N2 O4 S Si
SMILES	S(=O)(=O)(C1=C[C@@H](O)[C@H]([C@H](O[Si](C)(C)C(C)(C)C)C[C@H]1n1nc(cc1C)C)C)c1ccccc1
Title of publication	Double lawton SN2'addition to epoxyvinyl sulfones: selective construction of the stereotetrads of aplyronine A.
Authors of publication	El-Awa, Ahmad; Fuchs, Philip
Journal of publication	Organic letters
Year of publication	2006
Journal volume	8
Journal issue	14
Pages of publication	2905 - 2908
a	7.9018 ± 0.0007 Å
b	13.9786 ± 0.0014 Å
c	12.2708 ± 0.0011 Å
α	90°
β	100.951 ± 0.005°
γ	90°
Cell volume	1330.7 ± 0.2 Å³
Cell temperature	150 K
Ambient diffraction temperature	150 K
Number of distinct elements	6
Space group number	4
Hermann-Mauguin space group symbol	P 1 21 1
Hall space group symbol	P 2yb
Residual factor for all reflections	0.077
Residual factor for significantly intense reflections	0.044
Weighted residual factors for significantly intense reflections	0.075
Weighted residual factors for all reflections included in the refinement	0.082
Goodness-of-fit parameter for all reflections included in the refinement	1.034
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MO-Kα
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.	1505956.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.	1505956.cif
120071	2014-07-11	Adding DOIs to range 1 structures.	1505956.cif
47880	2012-03-26	../uploads/cif-deposit/cod/cif Adding structures of 1505956 via cif-deposit CGI script.	1505956.cif