Crystallography Open Database

Information card for entry 7110827

Preview

Coordinates	7110827.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C19 H30 O6 Si
Calculated formula	C19 H30 O6 Si
SMILES	[Si](O[C@@]12CC=CC[C@@]1(O)[C@H](OC2=O)[C@H]1OC2(OC1)CCCCC2)(C)(C)C
Title of publication	The vitamin C route to the ciguatoxins: enantioselective synthesis of a ring F building block
Authors of publication	Bond, Silas; Perlmutter, Patrick
Journal of publication	Chemical Communications
Year of publication	2000
Journal issue	7
Pages of publication	567
a	6.517 ± 0.0001 Å
b	11.5188 ± 0.0004 Å
c	26.6955 ± 0.0008 Å
α	90°
β	90°
γ	90°
Cell volume	2003.98 ± 0.1 Å³
Cell temperature	123 ± 2 K
Ambient diffraction temperature	123 ± 2 K
Number of distinct elements	4
Space group number	19
Hermann-Mauguin space group symbol	P 21 21 21
Hall space group symbol	P 2ac 2ab
Residual factor for all reflections	0.134
Residual factor for significantly intense reflections	0.0532
Weighted residual factors for significantly intense reflections	0.0793
Weighted residual factors for all reflections included in the refinement	0.0978
Goodness-of-fit parameter for all reflections included in the refinement	1.01
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
180222 (current)	2016-03-26	cif/7/11/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/11/08.	7110827.cif
95947	2014-01-28	cif/ Adding structures of 7110827, 7110828 via cif-deposit CGI script.	7110827.cif