Information card for entry 1508352

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 ų
• 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 Fobs: No