Information card for entry 7224058

Structure parameters

• Formula: C24 H22 F N3
• Calculated formula: C24 H22 F N3
• SMILES: Fc1ccc(c2c(c(N)c(c(N3CCCCC3)c2)C#N)c2ccccc2)cc1
• Title of publication: Microwave directed metal-free regiodivergent synthesis of 1,2-teraryls and study of supramolecular interactions
• Authors of publication: Pratap, Ramendra; Singh, Surjeet; Shally, Shally; Shaw, Ranjay; Yadav, Reena; Kumar, Abhinav
• Journal of publication: RSC Adv.
• Year of publication: 2016
• a: 10.0016 ± 0.0005 Å
• b: 10.9336 ± 0.0005 Å
• c: 11.1245 ± 0.0006 Å
• α: 105.508 ± 0.004°
• β: 106.64 ± 0.004°
• γ: 110.161 ± 0.004°
• Cell volume: 999.42 ± 0.11 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 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: 0.0728
• Residual factor for significantly intense reflections: 0.0539
• Weighted residual factors for significantly intense reflections: 0.1288
• Weighted residual factors for all reflections included in the refinement: 0.1419
• Goodness-of-fit parameter for all reflections included in the refinement: 0.93
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No