Crystallography Open Database

Information card for entry 1506134

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Structure parameters

Formula	C14 H26 O4 Si
Calculated formula	C14 H26 O4 Si
SMILES	O([Si](C)(C(C)(C)C)C)C[C@H]1OC(=O)[C@H]2C[C@H](C[C@@H]12)O
Title of publication	Stereodivergent approach to the asymmetric synthesis of bacillariolides: a formal synthesis of ent-bacillariolide II.
Authors of publication	Ghosh, Subrata; Sinha, Saikat; Drew, Michael G. B.
Journal of publication	Organic letters
Year of publication	2006
Journal volume	8
Journal issue	17
Pages of publication	3781 - 3784
a	7.577 ± 0.008 Å
b	8.208 ± 0.011 Å
c	13.461 ± 0.015 Å
α	90°
β	97.796 ± 0.01°
γ	90°
Cell volume	829.4 ± 1.7 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	4
Space group number	4
Hermann-Mauguin space group symbol	P 1 21 1
Hall space group symbol	P 2yb
Residual factor for all reflections	0.0723
Residual factor for significantly intense reflections	0.0553
Weighted residual factors for significantly intense reflections	0.1129
Weighted residual factors for all reflections included in the refinement	0.12
Goodness-of-fit parameter for all reflections included in the refinement	1.049
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.	1506134.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.	1506134.cif
120071	2014-07-11	Adding DOIs to range 1 structures.	1506134.cif
85727	2013-05-07	cif/1 Fixing minor details (mostly wrong formula and Z value) in CIFs of subdir 1, detected when building SMILES.	1506134.cif
48025	2012-03-26	../uploads/cif-deposit/cod/cif Adding structures of 1506134 via cif-deposit CGI script.	1506134.cif