Information card for entry 2242092

Structure parameters

• Chemical name: 1-Butyl-1-chloro-3-methyl-3<i>H</i>-2,1λ^4^-benzoxatellurole
• Formula: C12 H17 Cl O Te
• Calculated formula: C12 H17 Cl O Te
• SMILES: [Te]1(Cl)(O[C@H](C)c3ccccc13)CCCC
• Title of publication: 1-Butyl-1-chloro-3-methyl-3<i>H</i>-2,1λ^4^-benzoxatellurole: crystal structure and Hirshfeld analysis
• Authors of publication: Zukerman-Schpector, Julio; Cunha, Rodrigo; Omori, Álvaro T.; Sousa Madureira, Lucas; Tiekink, Edward R. T.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2017
• Journal volume: 73
• Journal issue: 4
• Pages of publication: 564 - 568
• a: 8.3663 ± 0.0002 Å
• b: 13.0442 ± 0.0004 Å
• c: 12.5363 ± 0.0002 Å
• α: 90°
• β: 103.46 ± 0.002°
• γ: 90°
• Cell volume: 1330.53 ± 0.06 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0282
• Residual factor for significantly intense reflections: 0.0274
• Weighted residual factors for significantly intense reflections: 0.0742
• Weighted residual factors for all reflections included in the refinement: 0.0755
• Goodness-of-fit parameter for all reflections included in the refinement: 1.016
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes