Crystallography Open Database

Information card for entry 1503291

Preview

Coordinates	1503291.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C25 H37 I O Si
Calculated formula	C25 H37 I O Si
SMILES	IC1=C([C@@]2([C@H](O[Si](C)(C)C(C)(C)C)C1)C(=CCCC2(C)C)C)c1ccccc1.IC1=C([C@]2([C@@H](O[Si](C)(C)C(C)(C)C)C1)C(=CCCC2(C)C)C)c1ccccc1
Title of publication	Room-temperature metal-free electrophilic 5-endo-selective iodocarbocyclization of 1,5-enynes.
Authors of publication	Pradal, Alexandre; Nasr, Alexandre; Toullec, Patrick Y.; Michelet, Veronique
Journal of publication	Organic letters
Year of publication	2010
Journal volume	12
Journal issue	22
Pages of publication	5222 - 5225
a	11.0609 ± 0.0008 Å
b	8.0727 ± 0.0007 Å
c	14.9313 ± 0.0015 Å
α	90°
β	109.045 ± 0.005°
γ	90°
Cell volume	1260.26 ± 0.19 Å³
Cell temperature	200 ± 2 K
Ambient diffraction temperature	200 ± 2 K
Number of distinct elements	5
Space group number	7
Hermann-Mauguin space group symbol	P 1 c 1
Hall space group symbol	P -2yc
Residual factor for all reflections	0.0487
Residual factor for significantly intense reflections	0.0293
Weighted residual factors for significantly intense reflections	0.0578
Weighted residual factors for all reflections included in the refinement	0.0631
Goodness-of-fit parameter for all reflections included in the refinement	1.037
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
176729 (current)	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.	1503291.cif
91932	2013-12-28	cif/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the range 1 CIFs.	1503291.cif
37166	2012-03-01	../uploads/cif-deposit/cod/cif Adding structures of 1503291 via cif-deposit CGI script.	1503291.cif