Information card for entry 1506733

Structure parameters

• Formula: C24 H42 Bi Br3 N2 O6
• Calculated formula: C24 H37 Bi Br3 N2 O6
• SMILES: [Bi]123(Br)(Br)(Br)O[C@H](c4[n]2c(ccc4)c2[n]3c(ccc2)[C@@H](O1)C(C)(C)C)C(C)(C)C.O.O.O(C)CCOC
• Title of publication: Bismuth triflate-chiral bipyridine complexes as water-compatible chiral Lewis acids.
• Authors of publication: Kobayashi, Shü; Ogino, Tsuyoshi; Shimizu, Haruka; Ishikawa, Shunpei; Hamada, Tomoaki; Manabe, Kei
• Journal of publication: Organic letters
• Year of publication: 2005
• Journal volume: 7
• Journal issue: 21
• Pages of publication: 4729 - 4731
• a: 8.4 ± 0.006 Å
• b: 16.96 ± 0.01 Å
• c: 22.39 ± 0.01 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3190 ± 3 ų
• Cell temperature: 98.1 K
• Number of distinct elements: 6
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for significantly intense reflections: 0.051
• Weighted residual factors for all reflections included in the refinement: 0.132
• Goodness-of-fit parameter for all reflections included in the refinement: 1.007
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No