Information card for entry 7116750

Structure parameters

• Formula: C30 H31 B O2 Zr
• Calculated formula: C30 H31 B O2 Zr
• SMILES: [Zr]123456789(C(=C(c%10c1cccc%10)c1ccccc1)B1OC(C(O1)(C)C)(C)C)([cH]1[cH]5[cH]4[cH]3[cH]21)[cH]1[cH]6[cH]7[cH]8[cH]91
• Title of publication: Phosphorescence within benzotellurophenes and color tunable tellurophenes under ambient conditions
• Authors of publication: Gang He; Benjamin D. Wiltshire; Paul Choi; Aliaksandr Savin; Shuai Sun; Arash Mohammadpour; Michael J. Ferguson; Robert McDonald; Samira Farsinezhad; Alex Brown; Karthik Shankar; Eric Rivard
• Journal of publication: Chem.Commun.
• Year of publication: 2015
• Journal volume: 51
• Pages of publication: 5444
• a: 10.3097 ± 0.0002 Å
• b: 15.5055 ± 0.0003 Å
• c: 32.3133 ± 0.0007 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 5165.51 ± 0.18 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 5
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.0721
• Residual factor for significantly intense reflections: 0.0611
• Weighted residual factors for significantly intense reflections: 0.1457
• Weighted residual factors for all reflections included in the refinement: 0.1539
• Goodness-of-fit parameter for all reflections included in the refinement: 1.153
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No