Crystallography Open Database

Information card for entry 4027870

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Structure parameters

Formula	C24 H40 O3 Si
Calculated formula	C24 H40 O3 Si
SMILES	[Si](O[C@H]1CC\C=C(\C[C@H]2O[C@@H]1[C@@H]1[C@H](CCC(=O)[C@H]21)C(=C)C)C)(C)(C)C(C)(C)C.[Si](O[C@@H]1CC\C=C(\C[C@@H]2O[C@H]1[C@H]1[C@@H](CCC(=O)[C@@H]21)C(=C)C)C)(C)(C)C(C)(C)C
Title of publication	Total Syntheses of Multiple Cladiellin Natural Products by Use of a Completely General Strategy
Authors of publication	J. Stephen Clark; Raphaëlle Berger; Stewart T. Hayes; Hans Martin Senn; Louis J. Farrugia; Lynne H. Thomas; Angus J. Morrison; Luca Gobbi
Journal of publication	Journal of Organic Chemistry
Year of publication	2013
Journal volume	78
Pages of publication	673 - 696
a	8.8106 ± 0.0011 Å
b	9.7886 ± 0.0014 Å
c	16.251 ± 0.002 Å
α	73.623 ± 0.008°
β	87.036 ± 0.007°
γ	63.785 ± 0.007°
Cell volume	1202 ± 0.3 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	4
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0766
Residual factor for significantly intense reflections	0.0501
Weighted residual factors for significantly intense reflections	0.1248
Weighted residual factors for all reflections included in the refinement	0.1386
Goodness-of-fit parameter for all reflections included in the refinement	1.04
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
301812 (current)	2025-08-19	Add cross-references to PubChem compounds in COD range 4/02/ Each referenced PubChem compound corresponds to the full crystal structure.	4027870.cif
178457	2016-03-21	cif/4/02/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/02/78.	4027870.cif
93911	2014-01-20	cif/ Adding structures of 4027870 via cif-deposit CGI script.	4027870.cif