Information card for entry 7060866

Structure parameters

• Formula: C20 H29 N O6
• Calculated formula: C20 H29 N O6
• SMILES: O=C1N2[C@@H](CC31C[C@@H]1OC(O[C@@H]1C3)(C)C)C[C@@]13OC(O[C@H]3CO[C@@H]1C2)(C)C
• Title of publication: Smart and concise entry to chiral spiro[cyclopentane-indolizidine]-tetraol diastereomers as a new aza-spirocyclic framework
• Authors of publication: Fraňová, Paula; Marchalín, Štefan; Šafář, Peter; Cvečko, Matej; Moncol, Ján; Žídeková, Ivana; Othman, Mohamed; Daïch, Adam
• Journal of publication: New Journal of Chemistry
• Year of publication: 2021
• Journal volume: 45
• Journal issue: 35
• Pages of publication: 15956 - 15967
• a: 6.5826 ± 0.0002 Å
• b: 9.0483 ± 0.0001 Å
• c: 16.3477 ± 0.0004 Å
• α: 90°
• β: 98.638 ± 0.002°
• γ: 90°
• Cell volume: 962.65 ± 0.04 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 K
• Number of distinct elements: 4
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0903
• Residual factor for significantly intense reflections: 0.0893
• Weighted residual factors for significantly intense reflections: 0.2453
• Weighted residual factors for all reflections included in the refinement: 0.2477
• Goodness-of-fit parameter for all reflections included in the refinement: 1.165
• Diffraction radiation wavelength: 1.54186 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No