Information card for entry 1504852

Structure parameters

• Formula: C27 H42 Br N O3 Si
• Calculated formula: C27 H42 Br N O3 Si
• Title of publication: Rhodium-catalyzed asymmetric ring-opening alkynylation of azabenzonorbornadienes.
• Authors of publication: Nishimura, Takahiro; Tsurumaki, Eiji; Kawamoto, Takahiro; Guo, Xun-Xiang; Hayashi, Tamio
• Journal of publication: Organic letters
• Year of publication: 2008
• Journal volume: 10
• Journal issue: 18
• Pages of publication: 4057 - 4060
• a: 8.548 ± 0.009 Å
• b: 25.63 ± 0.03 Å
• c: 27.7 ± 0.03 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 6069 ± 12 ų
• Cell temperature: 123 ± 2 K
• Ambient diffraction temperature: 123 ± 2 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 all reflections: 0.1895
• Residual factor for significantly intense reflections: 0.0661
• Weighted residual factors for significantly intense reflections: 0.1555
• Weighted residual factors for all reflections included in the refinement: 0.1937
• Goodness-of-fit parameter for all reflections included in the refinement: 0.851
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No