Information card for entry 7052405

Structure parameters

• Formula: C54 H100 F6 N8 O8 S2
• Calculated formula: C54 H100 F6 N8 O7.98 S2
• Title of publication: One-electron oxidation-induced dimerising C?C coupling of a 2,5-diamino-1,4-benzoquinonediimine: a chemical and electrochemical investigation
• Authors of publication: Taquet, Jean-philippe; Siri, Olivier; Collin, Jean-Paul; Messaoudi, Abdellatif; Braunstein, Pierre
• Journal of publication: New Journal of Chemistry
• Year of publication: 2005
• Journal volume: 29
• Journal issue: 1
• Pages of publication: 188
• a: 12.303 ± 0.0003 Å
• b: 17.02 ± 0.0004 Å
• c: 16.877 ± 0.0006 Å
• α: 90°
• β: 96.651 ± 0.0011°
• γ: 90°
• Cell volume: 3510.21 ± 0.17 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 6
• 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: 0.2167
• Residual factor for significantly intense reflections: 0.1451
• Weighted residual factors for significantly intense reflections: 0.382
• Weighted residual factors for all reflections included in the refinement: 0.4187
• Goodness-of-fit parameter for all reflections included in the refinement: 1.33
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No