Information card for entry 1506291

Structure parameters

• Formula: C29 H30 N4 O5 S
• Calculated formula: C29 H30 N4 O5 S
• SMILES: OC.OC.C1(=O)c2c([C@@H]([C@H](CN1)NS(=O)(=O)c1ccc(cc1)C)c1c[nH]c3c1cc(cc3)OC)c1ccccc1[nH]2.C1(=O)c2c([C@H]([C@@H](CN1)NS(=O)(=O)c1ccc(cc1)C)c1c[nH]c3c1cc(cc3)OC)c1ccccc1[nH]2
• Title of publication: New synthetic protocols for the preparation of unsymmetrical bisindoles
• Authors of publication: Kaiser, Hanns Martin; Lo, Wei Fun; Riahi, Abdol Majid; Spannenberg, Anke; Beller, Matthias; Tse, Man Kin
• Journal of publication: Organic letters
• Year of publication: 2006
• Journal volume: 8
• Journal issue: 25
• Pages of publication: 5761 - 5764
• a: 13.641 ± 0.003 Å
• b: 16.424 ± 0.003 Å
• c: 12.005 ± 0.002 Å
• α: 90°
• β: 94.29 ± 0.03°
• γ: 90°
• Cell volume: 2682.1 ± 0.9 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• 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: 0.0879
• Residual factor for significantly intense reflections: 0.0424
• Weighted residual factors for significantly intense reflections: 0.0816
• Weighted residual factors for all reflections included in the refinement: 0.0901
• Goodness-of-fit parameter for all reflections included in the refinement: 0.81
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No