Information card for entry 2216665

Structure parameters

• Chemical name: 1'-Methyl-4'-phenylacenaphthene-1-spiro-2'-pyrrolidine-3'-spiro-3''-\ benzo[g]chroman-2,4''-dione
• Formula: C34 H25 N O3
• Calculated formula: C34 H25 N O3
• SMILES: [C@@]12([C@@]3([C@H](CN2C)c2ccccc2)C(=O)c2c(ccc4ccccc24)OC3)C(=O)c2cccc3cccc1c23.[C@]12([C@]3([C@@H](CN2C)c2ccccc2)C(=O)c2c(ccc4ccccc24)OC3)C(=O)c2cccc3cccc1c23
• Title of publication: 1'-Methyl-4'-phenylacenaphthene-1-spiro-2'-pyrrolidine-3'-spiro-3''-benzo[<i>g</i>]chroman-2,4''-dione
• Authors of publication: Augustine, A. P. T; Ramkumar, V.; Charles C. Kanakam
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2007
• Journal volume: 63
• Journal issue: 12
• Pages of publication: o4717 - o4717
• a: 12.1286 ± 0.0004 Å
• b: 10.2211 ± 0.0004 Å
• c: 20.0589 ± 0.0007 Å
• α: 90°
• β: 95.159 ± 0.001°
• γ: 90°
• Cell volume: 2476.58 ± 0.15 ų
• Cell temperature: 297 ± 2 K
• Ambient diffraction temperature: 297 ± 2 K
• Number of distinct elements: 4
• 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: 0.0724
• Residual factor for significantly intense reflections: 0.0451
• Weighted residual factors for significantly intense reflections: 0.1301
• Weighted residual factors for all reflections included in the refinement: 0.1549
• Goodness-of-fit parameter for all reflections included in the refinement: 0.921
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes