Crystallography Open Database

Information card for entry 1504925

Preview

Coordinates	1504925.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C13 H16 O Si
Calculated formula	C13 H16 O Si
SMILES	[Si]([C@@H]1[C@@H]2[C@H]1C(=O)c1c2cccc1)(C)(C)C.[Si]([C@H]1[C@H]2[C@@H]1C(=O)c1c2cccc1)(C)(C)C
Title of publication	Synthesis of substituted naphthalenes via a catalytic ring-expansion rearrangement.
Authors of publication	Glass, Adam C.; Morris, Benjamin B.; Zakharov, Lev N.; Liu, Shih-Yuan
Journal of publication	Organic letters
Year of publication	2008
Journal volume	10
Journal issue	21
Pages of publication	4855 - 4857
a	9.5789 ± 0.0012 Å
b	12.6743 ± 0.0016 Å
c	10.9538 ± 0.0014 Å
α	90°
β	108.965 ± 0.002°
γ	90°
Cell volume	1257.7 ± 0.3 Å³
Cell temperature	173 ± 2 K
Ambient diffraction temperature	173 ± 2 K
Number of distinct elements	4
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.0437
Residual factor for significantly intense reflections	0.0357
Weighted residual factors for significantly intense reflections	0.0926
Weighted residual factors for all reflections included in the refinement	0.1004
Goodness-of-fit parameter for all reflections included in the refinement	1.033
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
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.	1504925.cif
91932	2013-12-28	cif/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the range 1 CIFs.	1504925.cif
42468	2012-03-13	../uploads/cif-deposit/cod/cif Adding structures of 1504925 via cif-deposit CGI script.	1504925.cif