Information card for entry 1555875

Structure parameters

• Formula: C32 H26 N2 O5
• Calculated formula: C32 H26 N2 O5
• SMILES: O(c1c(OC)c2c(cc1OC)Cn1c3c4n(c(cc3c3c1cccc3)C(=O)OC)c(c1ccccc1)cc24)C
• Title of publication: Intramolecular C_sp²-C_sp² Friedel-Crafts Arylation: Substrate- and Condition-Controlled Divergent Synthesis of Fused-β-carbolines.
• Authors of publication: Dighe, Shashikant U.; Yadav, Veena D.; Mahar, Rohit; Shukla, Sanjeev K.; Batra, Sanjay
• Journal of publication: Organic letters
• Year of publication: 2016
• Journal volume: 18
• Journal issue: 23
• Pages of publication: 6010 - 6013
• a: 8.4386 ± 0.0013 Å
• b: 10.3727 ± 0.0016 Å
• c: 15.076 ± 0.002 Å
• α: 104.374 ± 0.003°
• β: 91.345 ± 0.002°
• γ: 102.817 ± 0.003°
• Cell volume: 1242.1 ± 0.3 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 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: 0.118
• Residual factor for significantly intense reflections: 0.0721
• Weighted residual factors for significantly intense reflections: 0.1747
• Weighted residual factors for all reflections included in the refinement: 0.2486
• Goodness-of-fit parameter for all reflections included in the refinement: 1.081
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No