Information card for entry 1513235

Structure parameters

• Formula: C21 H26 F3 N O11
• Calculated formula: C21 H26 F3 N O11
• SMILES: C1[C@H]([C@@H]([C@H](C2(C[C@@H]([C@@H](C2)OC(=O)C)OC(=O)C)N1C(=O)C(F)(F)F)OC(=O)C)OC(=O)C)OC(=O)C
• Title of publication: Synthesis of Polyhydroxylated Quinolizidines and Azaspiro[4.5]decanes from d-Xylose.
• Authors of publication: Malik, Michał; Witkowski, Grzegorz; Ceborska, Magdalena; Jarosz, Sławomir
• Journal of publication: Organic letters
• Year of publication: 2013
• Journal volume: 15
• Journal issue: 24
• Pages of publication: 6214 - 6217
• a: 7.3343 ± 0.0002 Å
• b: 20.6369 ± 0.0004 Å
• c: 7.8664 ± 0.0002 Å
• α: 90°
• β: 104.127 ± 0.002°
• γ: 90°
• Cell volume: 1154.63 ± 0.05 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0284
• Residual factor for significantly intense reflections: 0.0278
• Weighted residual factors for significantly intense reflections: 0.0743
• Weighted residual factors for all reflections included in the refinement: 0.0746
• Goodness-of-fit parameter for all reflections included in the refinement: 1.046
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No