Crystallography Open Database

Information card for entry 1505894

Preview

Structure parameters

Chemical name	vinylcyclopentan
Formula	C15 H30 O3 Si
Calculated formula	C15 H30 O3 Si
SMILES	O[C@@H]1[C@H](C[C@@](O[Si](C(C)(C)C)(C)C)([C@H]1C=C)CO)C
Title of publication	Synthesis of the norjatrophane diterpene (-)-15-acetyl-3-propionyl- 17-norcharaciol.
Authors of publication	Helmboldt, Hannes; Köhler, Daniel; Hiersemann, Martin
Journal of publication	Organic letters
Year of publication	2006
Journal volume	8
Journal issue	8
Pages of publication	1573 - 1576
a	7.215 ± 0.001 Å
b	7.524 ± 0.001 Å
c	16.782 ± 0.003 Å
α	90°
β	92.21 ± 0.03°
γ	90°
Cell volume	910.3 ± 0.2 Å³
Cell temperature	198 ± 2 K
Ambient diffraction temperature	198 ± 2 K
Ambient diffracton pressure	0 kPa
Number of distinct elements	4
Space group number	4
Hermann-Mauguin space group symbol	P 1 21 1
Hall space group symbol	P 2yb
Residual factor for all reflections	0.049
Residual factor for significantly intense reflections	0.0382
Weighted residual factors for significantly intense reflections	0.0964
Weighted residual factors for all reflections included in the refinement	0.1002
Goodness-of-fit parameter for all reflections included in the refinement	1.035
Diffraction radiation probe	x-ray
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
201954 (current)	2017-10-13	cif/ Marking COD entries in range 1 that are known to be related to ChemSpider entries using the _cod_related_entry data loop.	1505894.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.	1505894.cif
120071	2014-07-11	Adding DOIs to range 1 structures.	1505894.cif
47830	2012-03-26	../uploads/cif-deposit/cod/cif Adding structures of 1505894 via cif-deposit CGI script.	1505894.cif