Information card for entry 7216615

Structure parameters

• Formula: C18 H10 N2 S5
• Calculated formula: C18 H10 N2 S5
• SMILES: S1SSSc2c(sc3[nH]c4c(c23)cccc4)c2c1[nH]c1ccccc21
• Title of publication: Thionation of bisindole derivatives with P4S10 or elemental sulfur
• Authors of publication: Janosik, Tomasz; Bergman, Jan; Stensland, Birgitta; Stålhandske, Claes
• Journal of publication: Journal of the Chemical Society, Perkin Transactions 1
• Year of publication: 2002
• Journal issue: 3
• Pages of publication: 330
• a: 8.909 ± 0.001 Å
• b: 15.535 ± 0.001 Å
• c: 12.651 ± 0.001 Å
• α: 90 ± 0.01°
• β: 101.26 ± 0.01°
• γ: 90 ± 0.01°
• Cell volume: 1717.2 ± 0.3 ų
• Cell temperature: 295 ± 2 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.102
• Residual factor for significantly intense reflections: 0.036
• Weighted residual factors for all reflections: 0.04
• Weighted residual factors for significantly intense reflections: 0.036
• Weighted residual factors for all reflections included in the refinement: 0.036
• Goodness-of-fit parameter for all reflections: 1.939
• Goodness-of-fit parameter for significantly intense reflections: 1.409
• Goodness-of-fit parameter for all reflections included in the refinement: 1.409
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No