Information card for entry 2221226

Structure parameters

• Chemical name: 3,3-Ethylenedithio-3,3a,4,5,10,10b-hexahydro-2<i>H</i>- furo[2,3-<i>a</i>]carbazole
• Formula: C16 H17 N O S2
• Calculated formula: C16 H17 N O S2
• SMILES: S1C2(SCC1)CO[C@H]1[C@@H]2CCc2c3ccccc3[nH]c12.S1C2(SCC1)CO[C@@H]1[C@H]2CCc2c3ccccc3[nH]c12
• Title of publication: 3,3-Ethylenedithio-3,3a,4,5,10,10b-hexahydro-2<i>H</i>-furo[2,3-<i>a</i>]carbazole
• Authors of publication: Uludağ, Nesimi; Öztürk, Aslı; Hökelek, Tuncer; Erdoğan, Ümit Işık
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2009
• Journal volume: 65
• Journal issue: 3
• Pages of publication: o595 - o596
• a: 21.7617 ± 0.0005 Å
• b: 8.4992 ± 0.0002 Å
• c: 15.2115 ± 0.0003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2813.47 ± 0.11 ų
• Cell temperature: 294 ± 2 K
• Ambient diffraction temperature: 294 ± 2 K
• Number of distinct elements: 5
• Space group number: 60
• Hermann-Mauguin space group symbol: P b c n
• Hall space group symbol: -P 2n 2ab
• Residual factor for all reflections: 0.1458
• Residual factor for significantly intense reflections: 0.0412
• Weighted residual factors for significantly intense reflections: 0.0782
• Weighted residual factors for all reflections included in the refinement: 0.1083
• Goodness-of-fit parameter for all reflections included in the refinement: 0.978
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes