Information card for entry 7220159

Structure parameters

• Formula: C23 H15 Cl F N O2
• Calculated formula: C23 H15 Cl F N O2
• SMILES: Clc1ccc(c2c(C(=O)/C=C3\c4cc(F)ccc4N(C)C3=O)cccc2)cc1
• Title of publication: Synthesis of Novel Benzoxaborinin-4-ones and its Application in Indolin-2-ones Synthesis Using Suzuki-Miyaura Reaction Protocol
• Authors of publication: Iyer, Pravin S.; Nawaz Khan, Fazlur-Rahman; Kannan, Murugan; Chinnapattu, Murugan
• Journal of publication: RSC Adv.
• Year of publication: 2015
• a: 27.292 ± 0.005 Å
• b: 10.0001 ± 0.0019 Å
• c: 15.408 ± 0.003 Å
• α: 90°
• β: 116.511 ± 0.01°
• γ: 90°
• Cell volume: 3763 ± 1.3 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 K
• Number of distinct elements: 6
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.1134
• Residual factor for significantly intense reflections: 0.0457
• Weighted residual factors for significantly intense reflections: 0.1183
• Weighted residual factors for all reflections included in the refinement: 0.1427
• Goodness-of-fit parameter for all reflections included in the refinement: 1.001
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No