Information card for entry 7030009

Structure parameters

• Formula: C33 H36 Se Te
• Calculated formula: C33 H36 Se Te
• SMILES: [Te](c1ccc2c3c(ccc([Se]c4ccccc4)c13)CC2)c1c(cc(cc1C(C)C)C(C)C)C(C)C
• Title of publication: Probing interactions through space using spin-spin coupling.
• Authors of publication: Stanford, Martin W.; Knight, Fergus R.; Athukorala Arachchige, Kasun S.; Sanz Camacho, Paula; Ashbrook, Sharon E.; Bühl, Michael; Slawin, Alexandra M. Z.; Woollins, J. Derek
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2014
• Journal volume: 43
• Journal issue: 17
• Pages of publication: 6548 - 6560
• a: 14.6975 ± 0.0012 Å
• b: 14.3672 ± 0.0013 Å
• c: 14.8351 ± 0.0013 Å
• α: 90°
• β: 119.048 ± 0.009°
• γ: 90°
• Cell volume: 2738.6 ± 0.5 ų
• Cell temperature: 125 K
• Ambient diffraction temperature: 125 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 significantly intense reflections: 0.0284
• Weighted residual factors for all reflections included in the refinement: 0.1078
• Goodness-of-fit parameter for all reflections included in the refinement: 1.288
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No