Information card for entry 7150853

Structure parameters

• Common name: 2,5'-Di((E)-benzylidene)-(1,2,3,4-tetrahydronaphthalen-1-one) 4-spiro-3'-(piperidine-2',6'-dione)
• Chemical name: 2,5'-Di[(E)-benzylidene]-[1,2,3,4-tetrahydronaphthalen-1-one] 4-spiro-3'-[piperidine-2',6'-dione]
• Formula: C28 H21 N O3
• Calculated formula: C28 H21 N O3
• SMILES: O=C1c2c(cccc2)C2(C/C1=C\c1ccccc1)CC(=C\c1ccccc1)/C(=O)NC2=O
• Title of publication: Simple and facile synthesis of tetralone-spiro-glutarimides and spiro-bisglutarimides from Baylis‒Hillman acetates
• Authors of publication: Basavaiah, Deevi; Reddy, Raju Jannapu
• Journal of publication: Organic & Biomolecular Chemistry
• Year of publication: 2008
• Journal volume: 6
• Journal issue: 6
• Pages of publication: 1034 - 1039
• a: 9.0369 ± 0.0018 Å
• b: 25.751 ± 0.005 Å
• c: 9.274 ± 0.0018 Å
• α: 90°
• β: 96.108 ± 0.003°
• γ: 90°
• Cell volume: 2145.9 ± 0.7 ų
• Cell temperature: 298 K
• Ambient diffraction temperature: 298 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: 0.0528
• Residual factor for significantly intense reflections: 0.0427
• Weighted residual factors for significantly intense reflections: 0.1031
• Weighted residual factors for all reflections included in the refinement: 0.1081
• Goodness-of-fit parameter for all reflections included in the refinement: 1.065
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No