Information card for entry 4023484

Structure parameters

• Formula: C28 H23 N3 O4
• Calculated formula: C28 H23 N3 O4
• SMILES: O(c1cc(nc(c1)C#Cc1nc(cc(O)c1)C#Cc1nc(cc(OC)c1)C#CC)C#CC)C.OC
• Title of publication: Saccharide Recognition-Induced Transformation of Pyridine-Pyridone Alternate Oligomers from Self-Dimer to Helical Complex
• Authors of publication: Hajime Abe; Hiroshi Machiguchi; Shinya Matsumoto; Masahiko Inouye
• Journal of publication: Journal of Organic Chemistry
• Year of publication: 2008
• Journal volume: 73
• Pages of publication: 4650 - 4661
• a: 8.376 ± 0.002 Å
• b: 23.27 ± 0.006 Å
• c: 12.566 ± 0.003 Å
• α: 90°
• β: 98.76 ± 0.02°
• γ: 90°
• Cell volume: 2420.5 ± 1.1 ų
• Cell temperature: 296.1 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/a 1
• Hall space group symbol: -P 2yab
• Residual factor for significantly intense reflections: 0.047
• Weighted residual factors for all reflections included in the refinement: 0.1644
• Goodness-of-fit parameter for all reflections included in the refinement: 1.082
• Diffraction radiation wavelength: 1.54187 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No