Crystallography Open Database

Information card for entry 1506877

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Structure parameters

Formula	C12 H24 O2 Si
Calculated formula	C12 H24 O2 Si
SMILES	[C@@H]1(C(=C\[Si](C)(C)C)\[C@@H](CC1(C)C)CO)O.[C@H]1(C(=C\[Si](C)(C)C)\[C@H](CC1(C)C)CO)O
Title of publication	Selective oxidation of zirconocyclopentenes via organoboranes.
Authors of publication	Gorman, Jeffrey S. T.; Iacono, Scott T.; Pagenkopf, Brian L.
Journal of publication	Organic letters
Year of publication	2004
Journal volume	6
Journal issue	1
Pages of publication	67 - 70
a	6.8202 ± 0.0007 Å
b	9.76 ± 0.001 Å
c	11.627 ± 0.002 Å
α	78.101 ± 0.004°
β	76.898 ± 0.005°
γ	75.658 ± 0.007°
Cell volume	721.02 ± 0.16 Å³
Cell temperature	153 ± 2 K
Ambient diffraction temperature	153 ± 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	0.29
Residual factor for significantly intense reflections	0.1139
Weighted residual factors for significantly intense reflections	0.2067
Weighted residual factors for all reflections included in the refinement	0.2396
Goodness-of-fit parameter for all reflections included in the refinement	1.488
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
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.	1506877.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.	1506877.cif
120071	2014-07-11	Adding DOIs to range 1 structures.	1506877.cif
51514	2012-04-07	../uploads/cif-deposit/cod/cif Adding structures of 1506877 via cif-deposit CGI script.	1506877.cif