Information card for entry 1548832

Structure parameters

• Chemical name: Dibenzo[2,3:6,7]thiepino[4,5-<i>d</i>][1,2,3]selenadiazole
• Formula: C14 H8 N2 S Se
• Calculated formula: C14 H8 N2 S Se
• Title of publication: Dibenzo[2,3:6,7]thiepino[4,5-<i>d</i>][1,2,3]selenadiazole
• Authors of publication: Schollmeyer, Dieter; Detert, Heiner
• Journal of publication: IUCrData
• Year of publication: 2018
• Journal volume: 3
• Journal issue: 1
• Pages of publication: x180070
• a: 20.8533 ± 0.0008 Å
• b: 9.9698 ± 0.0003 Å
• c: 23.4151 ± 0.0008 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 4868.1 ± 0.3 ų
• Cell temperature: 193 ± 2 K
• Ambient diffraction temperature: 193 ± 2 K
• Number of distinct elements: 5
• Space group number: 33
• Hermann-Mauguin space group symbol: P n a 21
• Hall space group symbol: P 2c -2n
• Residual factor for all reflections: 0.1285
• Residual factor for significantly intense reflections: 0.08
• Weighted residual factors for significantly intense reflections: 0.1576
• Weighted residual factors for all reflections included in the refinement: 0.189
• Goodness-of-fit parameter for all reflections included in the refinement: 1.161
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: Yes