Information card for entry 2216933

Structure parameters

• Chemical name: 5''-(4-Chlorobenzylidene)-1',1''-dimethyl-3'-phenylacenaphthene-1-spiro-2'-pyrrolidine-3'-spiro-3''-pyridine-2,4''-dione
• Formula: C34 H28 Cl2 N2 O2
• Calculated formula: C34 H28 Cl2 N2 O2
• SMILES: Clc1ccc([C@H]2[C@]3(C(=O)C(=C\c4ccc(Cl)cc4)\CN(C3)C)[C@@]3(N(C2)C)c2c4c(C3=O)cccc4ccc2)cc1.Clc1ccc([C@@H]2[C@@]3(C(=O)C(=C\c4ccc(Cl)cc4)\CN(C3)C)[C@]3(N(C2)C)c2c4c(C3=O)cccc4ccc2)cc1
• Title of publication: 5''-(4-Chlorobenzylidene)-1',1''-dimethyl-3'-phenylacenaphthene-1-spiro-2'-pyrrolidine-3'-spiro-3''-pyridine-2,4''-dione
• Authors of publication: S. Pandiarajan; S. N. Saravanamoorthy; B. Ravi Kumar; R. Ranjith Kumar; S. Athimoolam
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2008
• Journal volume: 64
• Journal issue: 1
• Pages of publication: o99 - o100
• a: 8.6561 ± 0.0005 Å
• b: 13.4732 ± 0.0008 Å
• c: 24.3962 ± 0.0014 Å
• α: 90°
• β: 95.765 ± 0.012°
• γ: 90°
• Cell volume: 2830.8 ± 0.3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0812
• Residual factor for significantly intense reflections: 0.0423
• Weighted residual factors for significantly intense reflections: 0.1013
• Weighted residual factors for all reflections included in the refinement: 0.1223
• Goodness-of-fit parameter for all reflections included in the refinement: 1.009
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes