Information card for entry 7049497

Structure parameters

• Chemical name: Mixedhexabenzene
• Formula: C48 H39 F3 Se6
• Calculated formula: C48 H39 F3 Se6
• Title of publication: Facile synthesis of mixed O, S or Se bearing hexasubstituted benzenes and their potential as Cu(ii) ion probe.
• Authors of publication: Kumar, Abhishek; Yadav, Mantesh K.; Singh, Jagriti; Singh, Jai Deo; Butcher, Ray J.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2019
• Journal volume: 48
• Journal issue: 17
• Pages of publication: 5627 - 5636
• a: 12.166 ± 0.004 Å
• b: 13.534 ± 0.004 Å
• c: 15.244 ± 0.004 Å
• α: 114.409 ± 0.006°
• β: 105.717 ± 0.006°
• γ: 91.805 ± 0.006°
• Cell volume: 2170.5 ± 1.1 ų
• Cell temperature: 295 ± 2 K
• Ambient diffraction temperature: 295 ± 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: 0.1526
• Residual factor for significantly intense reflections: 0.0697
• Weighted residual factors for significantly intense reflections: 0.1477
• Weighted residual factors for all reflections included in the refinement: 0.1822
• Goodness-of-fit parameter for all reflections included in the refinement: 0.969
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No