Information card for entry 4026250

Structure parameters

• Formula: C20 H17 N O5
• Calculated formula: C20 H17 N O5
• SMILES: C1(=O)N(CC(CC)CC)C(=O)c2c3c1ccc1c3c(cc2)C(=O)OC1=O
• Title of publication: Microwave-Assisted Synthesis of Naphthalenemonoimides and N-Desymmetrized Naphthalenediimides
• Authors of publication: Koujiro Tambara; Nandhini Ponnuswamy; Gunther Hennrich; G. Dan Pantoş
• Journal of publication: Journal of Organic Chemistry
• Year of publication: 2011
• Journal volume: 76
• Pages of publication: 3338 - 3347
• a: 16.5754 ± 0.0006 Å
• b: 5.9062 ± 0.0002 Å
• c: 16.6481 ± 0.0008 Å
• α: 90°
• β: 98.622 ± 0.002°
• γ: 90°
• Cell volume: 1611.39 ± 0.11 ų
• Cell temperature: 180 ± 2 K
• Ambient diffraction temperature: 180 ± 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: 0.1072
• Residual factor for significantly intense reflections: 0.0497
• Weighted residual factors for significantly intense reflections: 0.1084
• Weighted residual factors for all reflections included in the refinement: 0.1259
• Goodness-of-fit parameter for all reflections included in the refinement: 1.018
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No