Information card for entry 4023030

Structure parameters

• Formula: C49 H76 N4 O9 S3
• Calculated formula: C49 H76 N4 O9 S3
• Title of publication: Photophysics and Electrochemistry of Conjugated Oligothiophenes Prepared by Using Azomethine Connections
• Authors of publication: Marie Bourgeaux; W. G. Skene
• Journal of publication: Journal of Organic Chemistry
• Year of publication: 2007
• Journal volume: 72
• Pages of publication: 8882 - 8892
• a: 11.8332 ± 0.0006 Å
• b: 13.9286 ± 0.0007 Å
• c: 17.0327 ± 0.0006 Å
• α: 84.775 ± 0.002°
• β: 83.451 ± 0.002°
• γ: 76.16 ± 0.002°
• Cell volume: 2702.1 ± 0.2 ų
• Cell temperature: 220 ± 2 K
• Ambient diffraction temperature: 220 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1306
• Residual factor for significantly intense reflections: 0.115
• Weighted residual factors for significantly intense reflections: 0.364
• Weighted residual factors for all reflections included in the refinement: 0.3754
• Goodness-of-fit parameter for all reflections included in the refinement: 1.134
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No