Information card for entry 1555959

Structure parameters

• Formula: C26 H18 Cl N O
• Calculated formula: C26 H17 Cl N O
• SMILES: Clc1cc2N(C(=O)c3c(C(c2cc1)c1ccccc1)cccc3)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: 8.9082 ± 0.0006 Å
• b: 9.9372 ± 0.0008 Å
• c: 11.1764 ± 0.0008 Å
• α: 90.17 ± 0.003°
• β: 100.71 ± 0.003°
• γ: 95.382 ± 0.003°
• Cell volume: 967.63 ± 0.12 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: 0.1769
• Residual factor for significantly intense reflections: 0.0675
• Weighted residual factors for significantly intense reflections: 0.1253
• Weighted residual factors for all reflections included in the refinement: 0.1544
• Goodness-of-fit parameter for all reflections included in the refinement: 1.017
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No