Information card for entry 1505317

Structure parameters

• Formula: C52 H83.5 N4 S Si4
• Calculated formula: C52 H83.5 N4 S Si4
• Title of publication: A thiadiazole-fused N,N-dihydroquinoxaline: antiaromatic but isolable.
• Authors of publication: Miao, Shaobin; Schleyer, Paul v R; Wu, Judy I.; Hardcastle, Kenneth I.; Bunz, Uwe H. F.
• Journal of publication: Organic letters
• Year of publication: 2007
• Journal volume: 9
• Journal issue: 6
• Pages of publication: 1073 - 1076
• a: 55.844 ± 0.004 Å
• b: 13.8967 ± 0.001 Å
• c: 15.0754 ± 0.001 Å
• α: 90°
• β: 93.664 ± 0.005°
• γ: 90°
• Cell volume: 11675.3 ± 1.4 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 5
• 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: 0.1927
• Residual factor for significantly intense reflections: 0.1116
• Weighted residual factors for significantly intense reflections: 0.2979
• Weighted residual factors for all reflections included in the refinement: 0.3541
• Goodness-of-fit parameter for all reflections included in the refinement: 1.024
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No