Crystallography Open Database

Information card for entry 1508352

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Structure parameters

Formula	C38 H66 Rh2 Si2
Calculated formula	C38 H66 Rh2 Si2
SMILES	[Rh]12345([C]6#[C]([Rh]7896([C]4#[C]5[Si](C(C)C)(C(C)C)C(C)C)[CH]4=[CH]7CC[CH]8=[CH]9CC4)[Si](C(C)C)(C(C)C)C(C)C)[CH]4=[CH]1CC[CH]2=[CH]3CC4
Title of publication	Rhodium-Catalyzed Three-Component Reaction between Silylacetylene and Two Ketenes Leading to 1,3-Enynes Bearing a Carboxylic Ester Group via Double Insertion of Ketenes.
Authors of publication	Ogata, Kenichi; Ohashi, Itsuki; Fukuzawa, Shin-Ichi
Journal of publication	Organic letters
Year of publication	2012
Journal volume	14
Journal issue	16
Pages of publication	4214 - 4217
a	17.8351 ± 0.0009 Å
b	11.2002 ± 0.0005 Å
c	20.4039 ± 0.0011 Å
α	90°
β	111.555 ± 0.002°
γ	90°
Cell volume	3790.8 ± 0.3 Å³
Cell temperature	123 K
Ambient diffraction temperature	123 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 significantly intense reflections	0.0931
Weighted residual factors for all reflections included in the refinement	0.3666
Goodness-of-fit parameter for all reflections included in the refinement	1.407
Diffraction radiation wavelength	0.71075 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.	1508352.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.	1508352.cif
91932	2013-12-28	cif/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the range 1 CIFs.	1508352.cif
66333	2012-09-09	cif/ Adding structures of 1508352 via cif-deposit CGI script.	1508352.cif