Information card for entry 1555961

Structure parameters

• Formula: C26 H18 Br N O
• Calculated formula: C26 H18 Br N O
• SMILES: Brc1cc2N(c3ccccc3)C(=O)C(c2cc1)(c1ccccc1)c1ccccc1
• Title of publication: Multiple Aryne Insertions into Oxindoles: Synthesis of Bioactive 3,3-Diarylated Oxindoles and Dibenzo[b,e]azepin-6-ones.
• Authors of publication: Samineni, Ramesh; Bandi, Chandramohan Reddy C.; Srihari, Pabbaraja; Mehta, Goverdhan
• Journal of publication: Organic letters
• Year of publication: 2016
• Journal volume: 18
• Journal issue: 23
• Pages of publication: 6184 - 6187
• a: 8.996 ± 0.003 Å
• b: 9.168 ± 0.004 Å
• c: 14.637 ± 0.007 Å
• α: 90.061 ± 0.017°
• β: 106.475 ± 0.014°
• γ: 117.452 ± 0.014°
• Cell volume: 1014.9 ± 0.8 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.2398
• Residual factor for significantly intense reflections: 0.0632
• Weighted residual factors for significantly intense reflections: 0.157
• Weighted residual factors for all reflections included in the refinement: 0.2897
• Goodness-of-fit parameter for all reflections included in the refinement: 1.092
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No