Information card for entry 7152135

Structure parameters

• Formula: C42 H57 N3 O21
• Calculated formula: C42 H57 N3 O21
• Title of publication: A formal [3+3]-annulation-based approach to pancratistatins: total synthesis of (±)-7-deoxy-pancratistatin and its 2-epi and 2,4-diepi analogues.
• Authors of publication: Nieto-García, Olaia; Lago-Santomé, Hugo; Cagide-Fagín, Fernando; Ortiz-Lara, Juan Carlos; Alonso, Ricardo
• Journal of publication: Organic & biomolecular chemistry
• Year of publication: 2012
• Journal volume: 10
• Journal issue: 4
• Pages of publication: 825 - 834
• a: 13.063 ± 0.002 Å
• b: 13.707 ± 0.002 Å
• c: 13.95 ± 0.002 Å
• α: 99.713 ± 0.002°
• β: 99.524 ± 0.002°
• γ: 99.393 ± 0.002°
• Cell volume: 2380.7 ± 0.6 ų
• Cell temperature: 90 ± 2 K
• Ambient diffraction temperature: 90 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1024
• Residual factor for significantly intense reflections: 0.0501
• Weighted residual factors for significantly intense reflections: 0.1423
• Weighted residual factors for all reflections included in the refinement: 0.1755
• Goodness-of-fit parameter for all reflections included in the refinement: 0.712
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No