Information card for entry 7126855

Structure parameters

• Formula: C28 H19 F N2
• Calculated formula: C28 H19 F N2
• SMILES: Fc1ccc(c2nc3n4c(c(cc3)C)c(c(c24)c2ccccc2)c2ccccc2)cc1
• Title of publication: A selenium-coordinated palladium(ii) trans-dichloride molecular rotor as a catalyst for site-selective annulation of 2-arylimidazo[1,2-a]pyridines.
• Authors of publication: Meena, Neha; Sharma, Shobha; Bhatt, Ramprasad; Shinde, Vikki N.; Sunda, Anurag Prakash; Bhuvanesh, Nattamai; Kumar, Anil; Joshi, Hemant
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2020
• Journal volume: 56
• Journal issue: 70
• Pages of publication: 10223 - 10226
• a: 11.805 ± 0.0006 Å
• b: 7.031 ± 0.0003 Å
• c: 24.4855 ± 0.0011 Å
• α: 90°
• β: 103.258 ± 0.002°
• γ: 90°
• Cell volume: 1978.15 ± 0.16 ų
• Cell temperature: 110 K
• Ambient diffraction temperature: 110 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0799
• Residual factor for significantly intense reflections: 0.0451
• Weighted residual factors for significantly intense reflections: 0.093
• Weighted residual factors for all reflections included in the refinement: 0.1128
• Goodness-of-fit parameter for all reflections included in the refinement: 1.053
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No