Information card for entry 2217307

Structure parameters

• Chemical name: 1'-Methyl-4'-(1-naphthyl)-3''-(1-naphthylmethylene)acenaphthene-1-spiro-2'-pyrrolidine-3'-spiro-1''-cyclohexane-2,2''-dione
• Formula: C42 H33 N O2
• Calculated formula: C42 H33 N O2
• SMILES: c12c(cccc2)cccc1/C=C1/C(=O)[C@@]2([C@]3(N(C[C@H]2c2cccc4ccccc24)C)C(=O)c2c4c(ccc2)cccc34)CCC1.c12c(cccc2)cccc1/C=C1/C(=O)[C@]2([C@@]3(N(C[C@@H]2c2cccc4ccccc24)C)C(=O)c2c4c(ccc2)cccc34)CCC1
• Title of publication: 1'-Methyl-4'-(1-naphthyl)-3''-(1-naphthylmethylene)acenaphthene-1-spiro-2'-pyrrolidine-3'-spiro-1''-cyclohexane-2,2''-dione
• Authors of publication: S. Athimoolam; V. Anu Radha; S. Asath Bahadur; R. Ranjith Kumar; S. Perumal
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2008
• Journal volume: 64
• Journal issue: 1
• Pages of publication: o95 - o96
• a: 12.4398 ± 0.0008 Å
• b: 17.3501 ± 0.0011 Å
• c: 14.4685 ± 0.0009 Å
• α: 90°
• β: 90.728 ± 0.017°
• γ: 90°
• Cell volume: 3122.5 ± 0.3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.1033
• Residual factor for significantly intense reflections: 0.0499
• Weighted residual factors for significantly intense reflections: 0.1352
• Weighted residual factors for all reflections included in the refinement: 0.1635
• Goodness-of-fit parameter for all reflections included in the refinement: 1.018
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes