Information card for entry 2202133

Structure parameters

• Formula: C11 H10 N2 S2
• Calculated formula: C11 H10 N2 S2
• SMILES: s1ccc2N3Cc4sccc4N(Cc12)C3
• Title of publication: 4,5,9,10-Tetrahydro-4,9-methanodithieno[3,2-<i>b</i>:3',2'-<i>f</i>][1,5]diazocine
• Authors of publication: Tomoshige Kobayashi; Takashi Moriwaki; Motoo Shiro
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2003
• Journal volume: 59
• Journal issue: 6
• Pages of publication: o745 - o746
• a: 7.7 ± 0.002 Å
• b: 19.601 ± 0.005 Å
• c: 7.332 ± 0.002 Å
• α: 90°
• β: 112.58 ± 0.02°
• γ: 90°
• Cell volume: 1021.8 ± 0.5 ų
• Cell temperature: 93.2 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 significantly intense reflections: 0.0432
• Weighted residual factors for all reflections included in the refinement: 0.1013
• Goodness-of-fit parameter for all reflections included in the refinement: 1.021
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes