Information card for entry 4024363

Structure parameters

• Common name: Paquette 1598
• Formula: C26 H22 N2 O4
• Calculated formula: C26 H22 N2 O4
• SMILES: c12ccccc1[C@@](C)([C@H]1[C@H]3C=C[C@@H]([C@H]1C=O)N1[C@]3(c3ccccc3C1=O)C)N(C2=O)C=O.c12ccccc1[C@](C)([C@@H]1[C@@H]3C=C[C@H]([C@@H]1C=O)N1[C@@]3(c3ccccc3C1=O)C)N(C2=O)C=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: 8.6296 ± 0.0001 Å
• b: 13.9375 ± 0.0001 Å
• c: 18.687 ± 0.0002 Å
• α: 101.625 ± 0.003°
• β: 95.611 ± 0.003°
• γ: 98.74 ± 0.003°
• Cell volume: 2156.68 ± 0.04 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.06
• Residual factor for significantly intense reflections: 0.0406
• Weighted residual factors for significantly intense reflections: 0.1071
• Weighted residual factors for all reflections included in the refinement: 0.1169
• Goodness-of-fit parameter for all reflections included in the refinement: 1.053
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No