Information card for entry 7050874

Structure parameters

• Formula: C17 H9 N O4
• Calculated formula: C17 H9 N O4
• Title of publication: Dinaphtho[2',3':5,6][1,4]dithiino[2,3-b:2,3-e]pyridine, its 16-butyl derivative and dinaphtho[2',3':5,6][1,4]dioxo[2,3-b:2,3-e]pyridine: novel heterocycles as electron donor compounds
• Authors of publication: Carlos Troya; Albert Vidal; Enric Brillas; Jordi Rius; Xavier Torrelles; Carlos Alemán; Jordi Casanovas; Luis Juliá
• Journal of publication: New J. Chem.
• Year of publication: 2002
• Journal volume: 26
• Journal issue: 10
• Pages of publication: 1308 - 1313
• a: 6.09 ± 0.002 Å
• b: 22.542 ± 0.006 Å
• c: 13.823 ± 0.003 Å
• α: 90°
• β: 90.24 ± 0.03°
• γ: 90°
• Cell volume: 1897.6 ± 0.9 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.1439
• Residual factor for significantly intense reflections: 0.0419
• Weighted residual factors for all reflections: 0.1117
• Weighted residual factors for significantly intense reflections: 0.0975
• Goodness-of-fit parameter for all reflections: 0.796
• Goodness-of-fit parameter for significantly intense reflections: 1.231
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No