Information card for entry 2018779

Structure parameters

• Chemical name: 1-Chlorofuro[3,2-<i>e</i>][2,1,3]benzoxatellurazole
• Formula: C8 H4 Cl N O2 Te
• Calculated formula: C8 H4 Cl N O2 Te
• SMILES: [Te]1(Cl)[O]=Nc2c1ccc1occc21
• Title of publication: 1-Chlorofuro[3,2-<i>e</i>][2,1,3]benzoxatellurazole
• Authors of publication: Watkins, Jennifer M.; Fronczek, Frank R.; Zehnder, Ralph A.; Junk, Thomas
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2013
• Journal volume: 69
• Journal issue: 2
• Pages of publication: 156 - 157
• a: 9.9504 ± 0.0015 Å
• b: 8.849 ± 0.0014 Å
• c: 10.0077 ± 0.0016 Å
• α: 90°
• β: 99.731 ± 0.009°
• γ: 90°
• Cell volume: 868.5 ± 0.2 ų
• Cell temperature: 90 ± 0.5 K
• Ambient diffraction temperature: 90 ± 0.5 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.028
• Residual factor for significantly intense reflections: 0.024
• Weighted residual factors for significantly intense reflections: 0.053
• Weighted residual factors for all reflections included in the refinement: 0.055
• Goodness-of-fit parameter for all reflections included in the refinement: 1.054
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes