Information card for entry 7213253

Structure parameters

• Chemical name: 3,11-dibenzoyl-6,13dimethyl-7,14-dioxo-2,10-diphenyl-1,9-dioxa- 2,6,10,13-tetraazaspiro[4.2.2.4]tetradecane
• Formula: C36 H32 N4 O6
• Calculated formula: C36 H32 N4 O6
• SMILES: C1(=O)N([C@]2(C[C@H](N(O2)c2ccccc2)C(=O)c2ccccc2)C(=O)N([C@]21C[C@@H](N(O2)c1ccccc1)C(=O)c1ccccc1)C)C
• Title of publication: The reaction of α- and ω-methylenelactams with nitrones. Influence of electronic and geometric factors on the stereoselectivity of their 1,3-dipolar cycloaddition
• Authors of publication: Rigolet, Séverinne; Mélot, Jean Marie; Vébrel, Joel; Chiaroni, Angèle; Riche, Claude
• Journal of publication: Journal of the Chemical Society, Perkin Transactions 1
• Year of publication: 2000
• Journal issue: 7
• Pages of publication: 1095
• a: 8.932 ± 0.002 Å
• b: 9.67 ± 0.003 Å
• c: 10.105 ± 0.002 Å
• α: 100.95 ± 0.02°
• β: 105.61 ± 0.02°
• γ: 106.37 ± 0.02°
• Cell volume: 772.4 ± 0.4 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.0722
• Residual factor for significantly intense reflections: 0.0505
• Weighted residual factors for all reflections: 0.1454
• Weighted residual factors for all reflections included in the refinement: 0.1276
• Goodness-of-fit parameter for all reflections: 1.046
• Goodness-of-fit parameter for all reflections included in the refinement: 1.078
• Diffraction radiation wavelength: 1.5418 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No