Information card for entry 2001306

Structure parameters

• Formula: C16 H13 N3 S Se
• Calculated formula: C16 H13 N3 S Se
• Title of publication: Structure of 5,10-dihydro-3-phenylimino-1,2,4-thiaselenazolo[4,5-<i>b</i>][2,4]benzodiazepine
• Authors of publication: Billing, D. G.; Boeyens, J. C. A.; Haag, W.; Lai, L.-L.; Reid, D. H.
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1993
• Journal volume: 49
• Journal issue: 10
• Pages of publication: 1781 - 1783
• a: 10.1029 ± 0.0007 Å
• b: 14.5274 ± 0.0009 Å
• c: 10.8606 ± 0.0006 Å
• α: 90°
• β: 109.922 ± 0.005°
• γ: 90°
• Cell volume: 1498.61 ± 0.17 ų
• Cell temperature: 298 K
• Number of distinct elements: 5
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for significantly intense reflections: 0.0431
• Weighted residual factors for significantly intense reflections: 0.0349
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No