Information card for entry 4087361

Structure parameters

• Chemical name: 'C30 H20 O Te, C2 H2 Cl6'
• Formula: C32 H22 Cl6 O Te
• Calculated formula: C32 H22 Cl6 O Te
• SMILES: C123C(=C(c4ccccc4)C(c4c1cccc4)c1c2cccc1)C=C(c1ccccc1)[Te]3=O.C(Cl)(Cl)Cl.C(Cl)(Cl)Cl
• Title of publication: Synthesis, Structures, and Temperature-Dependent Photoluminescence of 1,4-Diphenyl-1-telluro-1,3-butadiene Incorporated in a Dibenzobarrelene Skeleton and Derivatives
• Authors of publication: Annaka, Tatsuro; Nakata, Norio; Ishii, Akihiko
• Journal of publication: Organometallics
• Year of publication: 2015
• Journal volume: 34
• Journal issue: 7
• Pages of publication: 1272
• a: 11.0309 ± 0.0007 Å
• b: 11.3923 ± 0.0008 Å
• c: 13.0052 ± 0.0009 Å
• α: 89.426 ± 0.002°
• β: 67.896 ± 0.002°
• γ: 88.106 ± 0.002°
• Cell volume: 1513.38 ± 0.18 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0555
• Residual factor for significantly intense reflections: 0.0479
• Weighted residual factors for significantly intense reflections: 0.1148
• Weighted residual factors for all reflections included in the refinement: 0.1197
• Goodness-of-fit parameter for all reflections included in the refinement: 1.055
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No