Crystallography Open Database

Information card for entry 1555477

Preview

Coordinates	1555477.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C18 H34 O S4 Si
Calculated formula	C18 H34 O S4 Si
SMILES	C=CCC1([C@@H]([C@H](C2(C)SCCCS2)O[Si](C)(C)C)C)SCCCS1.C=CCC1([C@H]([C@@H](C2(C)SCCCS2)O[Si](C)(C)C)C)SCCCS1
Title of publication	An Effective Bifunctional Aldehyde Linchpin for Type II Anion Relay Chemistry: Development and Application to the Synthesis of a C16-C29 Fragment of Rhizopodin.
Authors of publication	Melillo, Bruno; Chen, Ming Z.; Forestieri, Roberto; Smith, 3rd, Amos B
Journal of publication	Organic letters
Year of publication	2015
Journal volume	17
Journal issue	24
Pages of publication	6242 - 6245
a	9.7683 ± 0.0006 Å
b	10.4783 ± 0.0007 Å
c	12.5293 ± 0.0008 Å
α	102.548 ± 0.003°
β	99.034 ± 0.002°
γ	115.038 ± 0.002°
Cell volume	1088.3 ± 0.13 Å³
Cell temperature	100 ± 1 K
Ambient diffraction temperature	100 ± 1 K
Number of distinct elements	5
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0198
Residual factor for significantly intense reflections	0.0194
Weighted residual factors for significantly intense reflections	0.0502
Weighted residual factors for all reflections included in the refinement	0.0506
Goodness-of-fit parameter for all reflections included in the refinement	1.047
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
238755 (current)	2019-11-24	cif/ Adding structures of 1555477 via cif-deposit CGI script.	1555477.cif