Crystallography Open Database

Information card for entry 1556254

Preview

Coordinates	1556254.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C16 H30 O3 Si2
Calculated formula	C16 H30 O3 Si2
SMILES	[C@H]1(C[C@@H](O[Si](C)(C(C)(C)C)C)CC(=O)O1)C#C[Si](C)(C)C.[C@@H]1(C[C@H](O[Si](C)(C(C)(C)C)C)CC(=O)O1)C#C[Si](C)(C)C
Title of publication	Synthesis of the C1-C18 fragment of rhizopodin: late-state introduction of the oxazole.
Authors of publication	Bender, Tobias; Loits, Darran; White, Jonathan M.; Rizzacasa, Mark A.
Journal of publication	Organic letters
Year of publication	2014
Journal volume	16
Journal issue	5
Pages of publication	1450 - 1453
a	30.9982 ± 0.0004 Å
b	11.381 ± 0.0001 Å
c	11.1291 ± 0.0001 Å
α	90°
β	90°
γ	90°
Cell volume	3926.24 ± 0.07 Å³
Cell temperature	130 ± 0.1 K
Ambient diffraction temperature	130 ± 0.1 K
Number of distinct elements	4
Space group number	41
Hermann-Mauguin space group symbol	A e a 2
Hall space group symbol	A 2 -2ab
Residual factor for all reflections	0.0309
Residual factor for significantly intense reflections	0.03
Weighted residual factors for significantly intense reflections	0.0777
Weighted residual factors for all reflections included in the refinement	0.0785
Goodness-of-fit parameter for all reflections included in the refinement	1.077
Diffraction radiation wavelength	1.5418 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
243600 (current)	2019-11-26	cif/ Adding structures of 1556254 via cif-deposit CGI script.	1556254.cif