Information card for entry 4074045

Structure parameters

• Formula: C23 H23 F6 N2 P Te
• Calculated formula: C23 H23 F6 N2 P Te
• SMILES: c12=[Te+]c3c(C(=c2ccc(c1)N(C)C)c1ccccc1)ccc(c3)N(C)C.[P](F)(F)(F)(F)(F)[F-]
• Title of publication: Tellurium Analogues of Rosamine and Rhodamine Dyes: Synthesis, Structure,125Te NMR, and Heteroatom Contributions to Excitation Energies
• Authors of publication: Calitree, Brandon; Donnelly, David J.; Holt, Jason J.; Gannon, Michael K.; Nygren, Cara L.; Sukumaran, Dinesh K.; Autschbach, Jochen; Detty, Michael R.
• Journal of publication: Organometallics
• Year of publication: 2007
• Journal volume: 26
• Journal issue: 25
• Pages of publication: 6248
• a: 8.7303 ± 0.0016 Å
• b: 10.811 ± 0.002 Å
• c: 12.557 ± 0.002 Å
• α: 72.825 ± 0.004°
• β: 84.065 ± 0.004°
• γ: 81.242 ± 0.004°
• Cell volume: 1117 ± 0.3 ų
• Cell temperature: 90 ± 2 K
• Ambient diffraction temperature: 90 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0593
• Residual factor for significantly intense reflections: 0.036
• Weighted residual factors for significantly intense reflections: 0.0787
• Weighted residual factors for all reflections included in the refinement: 0.0918
• Goodness-of-fit parameter for all reflections included in the refinement: 1.042
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No