Crystallography Open Database

Information card for entry 1517512

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Structure parameters

Formula	C20 H32 O5 Si
Calculated formula	C20 H32 O5 Si
SMILES	[Si](O[C@@H]1C=C[C@@H]([C@@H]2C(=O)[C@@]3(OC)[C@@H](O)[C@@]12C(=O)[C@H]3C)C)(C)(C)C(C)(C)C.[Si](O[C@H]1C=C[C@H]([C@H]2C(=O)[C@]3(OC)[C@H](O)[C@]12C(=O)[C@@H]3C)C)(C)(C)C(C)(C)C
Title of publication	A short access to the skeleton of elisabethin a and formal syntheses of elisapterosin B and colombiasin a.
Authors of publication	Preindl, Johannes; Leitner, Christian; Baldauf, Simon; Mulzer, Johann
Journal of publication	Organic letters
Year of publication	2014
Journal volume	16
Journal issue	16
Pages of publication	4276 - 4279
a	14.105 ± 0.0011 Å
b	24.9328 ± 0.0018 Å
c	25.654 ± 0.002 Å
α	90.9 ± 0.002°
β	102.396 ± 0.002°
γ	104.559 ± 0.002°
Cell volume	8505.5 ± 1.1 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	0.1249
Residual factor for significantly intense reflections	0.0593
Weighted residual factors for significantly intense reflections	0.1095
Weighted residual factors for all reflections included in the refinement	0.1333
Goodness-of-fit parameter for all reflections included in the refinement	1.004
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
301776 (current)	2025-08-18	Add cross-references to PubChem compounds in COD range 1/51 Each referenced PubChem compound corresponds to the full crystal structure.	1517512.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.	1517512.cif
122814	2014-09-06	cif/ Adding structures of 1517512 via cif-deposit CGI script.	1517512.cif