Information card for entry 7150145

Structure parameters

• Chemical name: (1R*,2R*,5S*)-1-Hydroxymethyl-4,5-diphenyl-3,6-dioxa-8-azabicyclo[3.2.1]octan- 4-ol
• Formula: C18 H19 N O4
• Calculated formula: C18 H19 N O4
• SMILES: [C@]1(OC[C@]2(N[C@@]1(OC2)c1ccccc1)CO)(O)c1ccccc1.[C@@]1(OC[C@@]2(N[C@]1(OC2)c1ccccc1)CO)(O)c1ccccc1
• Title of publication: Polycyclic compounds from aminopolyols and alpha-dicarbonyls: structure and application in the synthesis of exoditopic ligands.
• Authors of publication: Giovenzana, Giovanni B.; Palmisano, Giovanni; Del Grosso, Erika; Giovannelli, Lorella; Penoni, Andrea; Pilati, Tullio
• Journal of publication: Organic & biomolecular chemistry
• Year of publication: 2005
• Journal volume: 3
• Journal issue: 8
• Pages of publication: 1489 - 1494
• a: 15.63 ± 0.0019 Å
• b: 12.6665 ± 0.0015 Å
• c: 7.9832 ± 0.001 Å
• α: 90°
• β: 93.946 ± 0.003°
• γ: 90°
• Cell volume: 1576.7 ± 0.3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• Space group number: 9
• Hermann-Mauguin space group symbol: C 1 c 1
• Hall space group symbol: C -2yc
• Residual factor for all reflections: 0.0357
• Residual factor for significantly intense reflections: 0.0328
• Weighted residual factors for significantly intense reflections: 0.0811
• Weighted residual factors for all reflections included in the refinement: 0.0845
• Goodness-of-fit parameter for all reflections included in the refinement: 1.122
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No