Information card for entry 7105514

Structure parameters

• Common name: 6
• Formula: C42 H32 Cl2 O4 Rh2
• Calculated formula: C42 H32 Cl2 O4 Rh2
• SMILES: [C]12(=O)[C]3(=[C]45[C]6(=[C]1(c1ccccc1)[Rh]12356(C#[O])[Cl][Rh]2356([C]7(=O)[C]2(=[C]23[C]5(=[C]67c3ccccc3)CCC2)c2ccccc2)(C#[O])[Cl]1)CCC4)c1ccccc1
• Title of publication: Synthesis of [RhCl(CO)(cyclopentadienone)]2 from [RhCl(cod)]2 and a 1,6-diyne under CO: application to Rh(i)-catalyzed tandem [2+2+1] carbonylative cycloaddition of diynes and Claisen rearrangement
• Authors of publication: Lee, Sang Ick; Fukumoto, Yoshiya; Chatani, Naoto
• Journal of publication: Chemical Communications
• Year of publication: 2010
• Journal volume: 46
• Journal issue: 19
• Pages of publication: 3345 - 3347
• a: 10.2579 ± 0.0003 Å
• b: 11.3113 ± 0.0003 Å
• c: 15.1156 ± 0.0004 Å
• α: 90°
• β: 104.674 ± 0.0009°
• γ: 90°
• Cell volume: 1696.66 ± 0.08 ų
• Cell temperature: 123 ± 2 K
• Ambient diffraction temperature: 123 ± 2 K
• Number of distinct elements: 5
• 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: 0.075
• Residual factor for significantly intense reflections: 0.0657
• Weighted residual factors for significantly intense reflections: 0.1667
• Weighted residual factors for all reflections included in the refinement: 0.1769
• Goodness-of-fit parameter for all reflections included in the refinement: 1.072
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No