Crystallography Open Database

Information card for entry 1504214

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Structure parameters

Formula	C25 H40 O5 Si
Calculated formula	C25 H40 O5 Si
SMILES	[Si](O[C@H]1CC[C@]2([C@@]34C(=O)[C@@H]([C@@H](CC3)C[C@H]4C(=O)OC2)C)C(=O)C1(C)C)(C)(C)C(C)(C)C
Title of publication	A synthesis of the carbon skeleton of maoecrystal V.
Authors of publication	Krawczuk, Paul J.; Schöne, Niklas; Baran, Phil S.
Journal of publication	Organic letters
Year of publication	2009
Journal volume	11
Journal issue	21
Pages of publication	4774 - 4776
a	6.5381 ± 0.0009 Å
b	13.0869 ± 0.0016 Å
c	28.301 ± 0.003 Å
α	90°
β	90°
γ	90°
Cell volume	2421.5 ± 0.5 Å³
Cell temperature	133 ± 2 K
Ambient diffraction temperature	133 ± 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	0.1147
Residual factor for significantly intense reflections	0.0957
Weighted residual factors for significantly intense reflections	0.249
Weighted residual factors for all reflections included in the refinement	0.2631
Goodness-of-fit parameter for all reflections included in the refinement	1.153
Diffraction radiation wavelength	1.54178 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
301775 (current)	2025-08-18	Add cross-references to PubChem compounds in COD range 1/50 Each referenced PubChem compound corresponds to the full crystal structure.	1504214.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.	1504214.cif
91932	2013-12-28	cif/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the range 1 CIFs.	1504214.cif
39505	2012-03-07	../uploads/cif-deposit/cod/cif Adding structures of 1504214 via cif-deposit CGI script.	1504214.cif