Information card for entry 4036284

Structure parameters

• Formula: C29 H24 Cl N3 O3
• Calculated formula: C29 H24 Cl N3 O3
• SMILES: Clc1ccc([C@@H]2[C@@]3(C(=O)N(c4ccccc4)C(=O)C3)[C@]3(N4[C@H]2CCC4)C(=O)Nc2ccccc32)cc1.Clc1ccc([C@H]2[C@]3(C(=O)N(c4ccccc4)C(=O)C3)[C@@]3(N4[C@@H]2CCC4)C(=O)Nc2ccccc32)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: 8.6262 ± 0.0002 Å
• b: 9.9045 ± 0.0003 Å
• c: 14.3555 ± 0.0005 Å
• α: 95.379 ± 0.001°
• β: 95.98 ± 0.002°
• γ: 92.811 ± 0.001°
• Cell volume: 1212.32 ± 0.06 ų
• Cell temperature: 115 K
• Ambient diffraction temperature: 115 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: 0.0459
• Residual factor for significantly intense reflections: 0.0358
• Weighted residual factors for significantly intense reflections: 0.0854
• Weighted residual factors for all reflections included in the refinement: 0.0919
• Goodness-of-fit parameter for all reflections included in the refinement: 1.03
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα~1~
• Diffraction radiation X-ray symbol: K-L~3~
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No