Information card for entry 1506170

Structure parameters

• Formula: C13 H20 N O2.5 S1.5
• Calculated formula: C13 H17 N O4 S
• Title of publication: Anomalous anthracene arrangement and rare excimer emission in the solid state: transcription and translation of molecular information.
• Authors of publication: Mizobe, Yuji; Miyata, Mikiji; Hisaki, Ichiro; Hasegawa, Yasuchika; Tohnai, Norimitsu
• Journal of publication: Organic letters
• Year of publication: 2006
• Journal volume: 8
• Journal issue: 19
• Pages of publication: 4295 - 4298
• a: 5.6042 ± 0.0009 Å
• b: 10.207 ± 0.001 Å
• c: 14.106 ± 0.002 Å
• α: 74.48 ± 0.01°
• β: 78.5 ± 0.01°
• γ: 75.38 ± 0.01°
• Cell volume: 744.74 ± 0.18 ų
• Cell temperature: 213.2 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 significantly intense reflections: 0.1318
• Weighted residual factors for all reflections included in the refinement: 0.325
• Goodness-of-fit parameter for all reflections included in the refinement: 2.733
• Diffraction radiation wavelength: 1.5419 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No