Information card for entry 4023507

Structure parameters

• Chemical name: 5,11-dimethyldibenzo[b,f][1,5]diazocine-6,12(5H,11H)-dithione
• Formula: C16 H14 N2 S2
• Calculated formula: C16 H14 N2 S2
• Title of publication: Enantiomeric Resolution of N,N'-Dimethyldithiodianthranilide through Diastereomeric Silver(I) Complex. Circular Dichroism Spectra, Racemization Barrier, and Molecular Self-Assembly
• Authors of publication: Teresa Olszewska; Maria Gdaniec; Tadeusz Połoński
• Journal of publication: Journal of Organic Chemistry
• Year of publication: 2008
• Journal volume: 73
• Pages of publication: 4859 - 4864
• a: 13.9899 ± 0.0008 Å
• b: 17.6632 ± 0.0009 Å
• c: 12.3039 ± 0.0006 Å
• α: 90°
• β: 103.639 ± 0.005°
• γ: 90°
• Cell volume: 2954.6 ± 0.3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• 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: 0.0616
• Residual factor for significantly intense reflections: 0.0392
• Weighted residual factors for significantly intense reflections: 0.0946
• Weighted residual factors for all reflections included in the refinement: 0.1026
• Goodness-of-fit parameter for all reflections included in the refinement: 1.115
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No