Information card for entry 4036282

Structure parameters

• Formula: C29 H24 F N3 O3
• Calculated formula: C29 H24 F N3 O3
• SMILES: Fc1ccc([C@H]2[C@H]3N(CCC3)[C@@]3([C@@]42C(=O)N(C(=O)C4)c2ccccc2)c2ccccc2NC3=O)cc1.Fc1ccc([C@@H]2[C@@H]3N(CCC3)[C@]3([C@@]42CC(=O)N(C4=O)c2ccccc2)c2ccccc2NC3=O)cc1
• 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: 13.0271 ± 0.0005 Å
• b: 13.1056 ± 0.0004 Å
• c: 15.6355 ± 0.0005 Å
• α: 79.606 ± 0.003°
• β: 68.137 ± 0.003°
• γ: 67.559 ± 0.003°
• Cell volume: 2287.54 ± 0.15 ų
• Cell temperature: 173.15 K
• Ambient diffraction temperature: 173.15 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.057
• Residual factor for significantly intense reflections: 0.0403
• Weighted residual factors for significantly intense reflections: 0.0879
• Weighted residual factors for all reflections included in the refinement: 0.0968
• Goodness-of-fit parameter for all reflections included in the refinement: 1.017
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No