Information card for entry 2011133

Structure parameters

• Chemical name: (3R*,3'R*)-1,1'-Dimethyl-3,3'-biindoline-2,2'-dithione
• Formula: C18 H16 N2 S2
• Calculated formula: C18 H16 N2 S2
• SMILES: S=C1N(c2c([C@H]1[C@H]1C(=S)N(c3c1cccc3)C)cccc2)C.S=C1N(c2c([C@@H]1[C@@H]1C(=S)N(c3c1cccc3)C)cccc2)C
• Title of publication: (3<i>R</i>*,3'<i>R</i>*)-1,1'-Dimethyl-3,3'-biindoline-2,2'-dithione
• Authors of publication: Baumeister, Ute; Hartung, Helmut; Spitzner, Roland; Felicetti, Michael; Schroth, Werner
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2000
• Journal volume: 56
• Journal issue: 7
• Pages of publication: 830 - 831
• a: 17.635 ± 0.005 Å
• b: 8.418 ± 0.002 Å
• c: 22.591 ± 0.005 Å
• α: 90°
• β: 100.5 ± 0.03°
• γ: 90°
• Cell volume: 3297.5 ± 1.5 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.1
• Residual factor for significantly intense reflections: 0.042
• Weighted residual factors for all reflections included in the refinement: 0.106
• Goodness-of-fit parameter for all reflections included in the refinement: 0.991
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes