Information card for entry 7119072

Structure parameters

• Formula: C25 H14 F N O4
• Calculated formula: C25 H14 F N O4
• SMILES: c1ccccc1C(=O)C1C(=O)Nc2c(C3=C1C(=O)c1ccccc1C3=O)cc(cc2)F
• Title of publication: Two-carbon ring expansion of isatin: a convenient construction of a dibenzo[b,d]azepinone scaffold
• Authors of publication: Rong-Guo Shi; Xiao-Hua Wang; Ruzhang Liu; Chao-Guo Yan
• Journal of publication: Chem.Commun.
• Year of publication: 2016
• Journal volume: 52
• Pages of publication: 6280
• a: 9.7639 ± 0.0011 Å
• b: 19.413 ± 0.002 Å
• c: 10.4751 ± 0.0012 Å
• α: 90°
• β: 105.633 ± 0.001°
• γ: 90°
• Cell volume: 1912.1 ± 0.4 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0522
• Residual factor for significantly intense reflections: 0.0414
• Weighted residual factors for significantly intense reflections: 0.1027
• Weighted residual factors for all reflections included in the refinement: 0.1107
• Goodness-of-fit parameter for all reflections included in the refinement: 1.031
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No