Information card for entry 1504968

Structure parameters

• Formula: C9 H20 Cl3 O2 P2 Rh
• Calculated formula: C9 H20 Cl3 O2 P2 Rh
• SMILES: [Rh](Cl)(Cl)([P](C)(C)C)([P](C)(C)C)(C(=O)CCl)C#[O]
• Title of publication: Rhodium-complex-catalyzed addition reactions of chloroacetyl chlorides to alkynes.
• Authors of publication: Kashiwabara, Taigo; Fuse, Kouichiro; Hua, Ruimao; Tanaka, Masato
• Journal of publication: Organic letters
• Year of publication: 2008
• Journal volume: 10
• Journal issue: 23
• Pages of publication: 5469 - 5472
• a: 11.563 ± 0.003 Å
• b: 12.755 ± 0.003 Å
• c: 11.583 ± 0.003 Å
• α: 90°
• β: 98.139 ± 0.003°
• γ: 90°
• Cell volume: 1691.1 ± 0.7 ų
• Cell temperature: 113.1 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/a 1
• Hall space group symbol: -P 2yab
• Residual factor for significantly intense reflections: 0.044
• Weighted residual factors for all reflections included in the refinement: 0.058
• Goodness-of-fit parameter for all reflections included in the refinement: 0.988
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No