Information card for entry 1502895

Structure parameters

• Formula: C36 H42 Cl4 Ga2 P2
• Calculated formula: C36 H42 Cl4 Ga2 P2
• SMILES: [Ga](Cl)(Cl)([P](c1ccccc1)(c1ccccc1)CC[P]([Ga](Cl)(Cl)CCC(=C)C)(c1ccccc1)c1ccccc1)CCC(=C)C
• Title of publication: Cyclopropylmethylation of benzylic and allylic chlorides with cyclopropylmethylstannane catalyzed by gallium or indium halide.
• Authors of publication: Kiyokawa, Kensuke; Yasuda, Makoto; Baba, Akio
• Journal of publication: Organic letters
• Year of publication: 2010
• Journal volume: 12
• Journal issue: 7
• Pages of publication: 1520 - 1523
• a: 9.3669 ± 0.0004 Å
• b: 18.7512 ± 0.0007 Å
• c: 11.2466 ± 0.0004 Å
• α: 90°
• β: 111.507 ± 0.0013°
• γ: 90°
• Cell volume: 1837.82 ± 0.12 ų
• Cell temperature: 123.1 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for significantly intense reflections: 0.0419
• Weighted residual factors for all reflections included in the refinement: 0.0848
• Goodness-of-fit parameter for all reflections included in the refinement: 1.115
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No