Information card for entry 4036283

Structure parameters

• Formula: C29 H24 Cl N3 O3
• Calculated formula: C29 H24 Cl N3 O3
• SMILES: Clc1ccc([C@H]2[C@]3([C@H]4N(CCC4)[C@]42C(=O)Nc2ccccc42)CC(=O)N(C3=O)c2ccccc2)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: 9.5387 ± 0.0005 Å
• b: 12.5979 ± 0.0006 Å
• c: 19.8057 ± 0.0011 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2380 ± 0.2 ų
• Cell temperature: 173.15 K
• Ambient diffraction temperature: 173.15 K
• Number of distinct elements: 5
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0526
• Residual factor for significantly intense reflections: 0.0391
• Weighted residual factors for significantly intense reflections: 0.0768
• Weighted residual factors for all reflections included in the refinement: 0.0828
• Goodness-of-fit parameter for all reflections included in the refinement: 1.033
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No