Information card for entry 4023048

Structure parameters

• Formula: C22 H26 N2 O5
• Calculated formula: C22 H26 N2 O5
• SMILES: c12C(=O)N(CC=Cc1c1ccccc1n2C(=O)OC(C)(C)C)C(=O)OC(C)(C)C
• Title of publication: Preparation of Novel Unsymmetrical Bisindoles under Solvent-Free Conditions: Synthesis, Crystal Structures, and Mechanistic Aspects
• Authors of publication: Hanns Martin Kaiser; Ivo Zenz; Wei Fun Lo; Anke Spannenberg; Kristin Schröder; Haijun Jiao; Dirk Gördes; Matthias Beller; Man Kin Tse
• Journal of publication: Journal of Organic Chemistry
• Year of publication: 2007
• Journal volume: 72
• Pages of publication: 8847 - 8858
• a: 7.7412 ± 0.0015 Å
• b: 9.4702 ± 0.0019 Å
• c: 15.071 ± 0.003 Å
• α: 96.07 ± 0.03°
• β: 102.1 ± 0.03°
• γ: 97.26 ± 0.03°
• Cell volume: 1061.6 ± 0.4 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0711
• Residual factor for significantly intense reflections: 0.0407
• Weighted residual factors for significantly intense reflections: 0.0885
• Weighted residual factors for all reflections included in the refinement: 0.0948
• Goodness-of-fit parameter for all reflections included in the refinement: 0.82
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No