Information card for entry 1504302

Structure parameters

• Formula: C32 H43 Br Cl3 N O Si
• Calculated formula: C32 H43 Br Cl3 N O Si
• SMILES: [Si]([C@H]1CC(=O)[C@@]2([C@@H](C[N+]3([C@@H]2C[C@@H]1[C@@H]3C)Cc1ccccc1)CCC=C)C)(c1ccccc1)(C)C.[Br-].C(Cl)(Cl)Cl
• Title of publication: Asymmetric construction of rings A-D of daphnicyclidin-type alkaloids.
• Authors of publication: Dunn, Travis B.; Ellis, J. Michael; Kofink, Christiane C.; Manning, James R.; Overman, Larry E.
• Journal of publication: Organic letters
• Year of publication: 2009
• Journal volume: 11
• Journal issue: 24
• Pages of publication: 5658 - 5661
• a: 10.2195 ± 0.0005 Å
• b: 13.6892 ± 0.0007 Å
• c: 23.5232 ± 0.0011 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3290.8 ± 0.3 ų
• Cell temperature: 153 ± 2 K
• Ambient diffraction temperature: 153 ± 2 K
• Number of distinct elements: 7
• 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: 0.0229
• Residual factor for significantly intense reflections: 0.0218
• Weighted residual factors for significantly intense reflections: 0.0529
• Weighted residual factors for all reflections included in the refinement: 0.0533
• Goodness-of-fit parameter for all reflections included in the refinement: 1.04
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No