Information card for entry 4036285

Structure parameters

• Formula: C32 H26 N2 O2
• Calculated formula: C32 H26 N2 O2
• SMILES: [C@@H]12CCCN2[C@]2(C(=O)c3cccc4c3c2ccc4)[C@@]2(C(=O)c3cccc4c3c2ccc4)N2[C@@H]1CCC2.[C@H]12CCCN2[C@@]2(C(=O)c3cccc4c3c2ccc4)[C@]2(C(=O)c3cccc4c3c2ccc4)N2[C@H]1CCC2
• Title of publication: Regio- and Stereoselective Synthesis of Spiropyrrolizidines and Piperazines through Azomethine Ylide Cycloaddition Reaction.
• Authors of publication: Haddad, Saoussen; Boudriga, Sarra; Porzio, François; Soldera, Armand; Askri, Moheddine; Knorr, Michael; Rousselin, Yoann; Kubicki, Marek M.; Golz, Christopher; Strohmann, Carsten
• Journal of publication: The Journal of organic chemistry
• Year of publication: 2015
• Journal volume: 80
• Journal issue: 18
• Pages of publication: 9064 - 9075
• a: 8.865 ± 0.0007 Å
• b: 10.6628 ± 0.0009 Å
• c: 14.213 ± 0.0011 Å
• α: 109.553 ± 0.008°
• β: 100.777 ± 0.007°
• γ: 102.741 ± 0.007°
• Cell volume: 1184.09 ± 0.19 ų
• Cell temperature: 173.15 K
• Ambient diffraction temperature: 173.15 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: 0.0742
• Residual factor for significantly intense reflections: 0.0472
• Weighted residual factors for significantly intense reflections: 0.0932
• Weighted residual factors for all reflections included in the refinement: 0.1044
• Goodness-of-fit parameter for all reflections included in the refinement: 1.02
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No