Information card for entry 4024362

Structure parameters

• Common name: Paquette 1573
• Formula: C12 H11 N O2
• Calculated formula: C12 H11 N O2
• SMILES: C1(=O)c2ccccc2[C@@H]2CC=C[C@H](N12)O.C1(=O)c2ccccc2[C@H]2CC=C[C@@H](N12)O
• Title of publication: Contrasting Responses of Pyrido[2,1-a]isoindol-6-ones and Their Sultam Counterparts to Photochemical Activation
• Authors of publication: Leo A. Paquette; Robert D. Dura; Isabelle Modolo
• Journal of publication: Journal of Organic Chemistry
• Year of publication: 2009
• Journal volume: 74
• Pages of publication: 1982 - 1987
• a: 8.7421 ± 0.0001 Å
• b: 17.848 ± 0.0003 Å
• c: 12.4786 ± 0.0002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1947.02 ± 0.05 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 4
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.0664
• Residual factor for significantly intense reflections: 0.0399
• Weighted residual factors for significantly intense reflections: 0.0896
• Weighted residual factors for all reflections included in the refinement: 0.0999
• Goodness-of-fit parameter for all reflections included in the refinement: 1.01
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No