Information card for entry 4024364

Structure parameters

• Common name: Paquette 1597
• Formula: C26 H22 N2 O5
• Calculated formula: C26 H22 N2 O5
• SMILES: c12ccccc1[C@](C)([C@H]1[C@@H](C=O)[C@H]3[C@@H]4[C@H]([C@@H]1[C@]1(c5c(C(=O)N31)cccc5)C)O4)N(C2=O)C=O.c12ccccc1[C@@](C)([C@@H]1[C@H](C=O)[C@@H]3[C@H]4[C@@H]([C@H]1[C@@]1(c5c(C(=O)N31)cccc5)C)O4)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: 25.5577 ± 0.0003 Å
• b: 27.3903 ± 0.0003 Å
• c: 12.1987 ± 0.0001 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 8539.49 ± 0.15 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• Space group number: 43
• Hermann-Mauguin space group symbol: F d d 2
• Hall space group symbol: F 2 -2d
• Residual factor for all reflections: 0.0517
• Residual factor for significantly intense reflections: 0.0364
• Weighted residual factors for significantly intense reflections: 0.0834
• Weighted residual factors for all reflections included in the refinement: 0.0901
• Goodness-of-fit parameter for all reflections included in the refinement: 1.023
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No